Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3379474 | 0.99 | HTR2C (0.47) | HTR2CHTR2BNOTUM | |
| Hydrochloric Acid SCHEMBL6871211 | 0.90 | HTR6 (0.43) | HTR2CHTR2B | |
| SCHEMBL3381538 | 0.86 | OXTR (0.43) | — | |
| Hydrochloric Acid SCHEMBL7441572 | 0.85 | OXTR (0.40) | — | |
| SCHEMBL3381685 | 0.83 | OXTR (0.41) | HTR2CHTR2BNOTUM | |
| SCHEMBL3377927 | 0.83 | OXTR (0.43) | HTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL2267895 | 0.81 | HTR6 (0.53) | NOTUM | |
| SCHEMBL3381033 | 0.80 | OXTR (0.52) | HTR2CHTR2B | |
| SCHEMBL400825 | 0.80 | HTR6 (0.54) | NOTUM | |
| SCHEMBL4716706 | 0.79 | NOTUM (0.56) | HTR2CHTR2BNOTUM |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120128768-A1 | ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY | LABORATORIOS DEL DR. ESTEVE S.A (ES) | 2012-05-24 | — | — | US | disclosed |
| EP-1497285-B1 | BENZOXAZINONE-DERIVED COMPOUNDS, THEIR PREPARATION UND USE AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2010-11-24 | — | — | EP | disclosed |
| EP-1648886-B1 | BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2009-12-09 | — | — | EP | disclosed |
| EP-1660131-B1 | ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY | ESTEVE LABOR DR (ES) | 2009-06-24 | — | — | EP | disclosed |
| US-7514429-B2 | Benzoxazinone-derived compounds, their preparation and use as medicaments | ESTEVE LABORATORIOS DR. ESTEVE S.A. (ES) | 2009-04-07 | — | — | US | disclosed |
| EP-1648468-B1 | ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY | ESTEVE LABOR DR (ES) | 2008-09-24 | — | — | EP | disclosed |
| US-20070059364-A1 | Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2007-03-15 | — | — | US | disclosed |
| US-20070032482-A1 | Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2007-02-08 | — | — | US | disclosed |
| US-20070009597-A1 | Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2007-01-11 | — | — | US | disclosed |
| US-20060128701-A1 | Benzoxazinone-derived compounds, their preparation and use as medicaments | JOVER ANTONI T | 2006-06-15 | — | — | US | disclosed |
| EP-1648886-A1 | BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2006-04-26 | — | — | EP | disclosed |
| EP-1500654-B1 | BENZOXAZINONE DERIVATIVES, THE PREPARATION AND USE THEREOF AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2006-02-01 | — | — | EP | disclosed |
| WO-2005014000-A1 | ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2005-02-17 | — | — | WO | disclosed |
| WO-2005014589-A1 | BENZOXAZINONE-DERIVED SULFONAMIDE COMPOUNDS, THEIR PREPARATION AND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (DE) | 2005-02-17 | — | — | WO | disclosed |
| WO-2005014045-A1 | ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY | LABORATORIOS DEL DR. ESTEVE S.A. (DE) | 2005-02-17 | — | — | WO | disclosed |
| EP-1500654-A1 | BENZOXAZINONE DERIVATIVES, THE PREPARATION AND USE THEREOF AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2005-01-26 | — | — | EP | disclosed |
| EP-1497285-A1 | BENZOXAZINONE-DERIVED COMPOUNDS, THEIR PREPARATION UND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2005-01-19 | — | — | EP | disclosed |
| US-20040067941-A1 | Benzoxazinone derivatives, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2004-04-08 | — | — | US | disclosed |
| US-20040058920-A1 | Benzoxazinone-derived compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE,S.A. (ES) | 2004-03-25 | — | — | US | disclosed |
| WO-2003084952-A1 | BENZOXAZINONE-DERIVED COMPOUNDS, THEIR PREPARATION UND USE AS MEDICAMENTS | LABORATORIOS DEL DR. ESTEVE S.A. (ES) | 2003-10-16 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20070059364-A1 | Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity | HTR6, NPY5R, NPY2R | HTR2C 23/4885HTR2B 31/4885NOTUM 1810/4885 |
| US-20070032482-A1 | Benzoxazinone-derived sulfonamide compounds, their preparation and use as medicaments | HTR6, HTR5A, P2RX6 | HTR2C 10/4885HTR2B 18/4885NOTUM 1055/4885 |
| US-20060128701-A1 | Benzoxazinone-derived compounds, their preparation and use as medicaments | XDH, CYP3A5, CYP4X1 | HTR2C 806/4885HTR2B 1326/4885NOTUM 1531/4885 |
| US-20040058920-A1 | Benzoxazinone-derived compounds, their preparation and use as medicaments | XDH, CYP3A5, CYP4X1 | HTR2C 806/4885HTR2B 1326/4885NOTUM 1531/4885 |
| US-20040067941-A1 | Benzoxazinone derivatives, their preparation and use as medicaments | XDH, CYP4X1, CYP3A5 | HTR2C 319/4885HTR2B 515/4885NOTUM 1220/4885 |
| US-20120128768-A1 | ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY | HTR6, NPY5R, NPY2R | HTR2C 23/4885HTR2B 31/4885NOTUM 1810/4885 |
| US-20070009597-A1 | Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity | NPY5R, HTR6, NPY2R | HTR2C 32/4885HTR2B 50/4885NOTUM 1175/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.