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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 4/20 | 0.70 |
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.53 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.53 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.53 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.53 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.53 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.53 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.53 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.46 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4214518 | 0.84 | SIGMAR1 (0.74) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL6314091 | 0.84 | SIGMAR1 (0.97) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL2361177 | 0.83 | SIGMAR1 (0.73) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6820101 | 0.83 | SIGMAR1 (0.68) | SIGMAR1SSTR5 | |
| SCHEMBL14349466 | 0.83 | SIGMAR1 (0.47) | SIGMAR1DRD2SSTR5 | |
| SCHEMBL747866 | 0.82 | SIGMAR1 (1.00) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL11831890 | 0.79 | SIGMAR1 (0.66) | SIGMAR1SSTR5 | |
| SCHEMBL16835934 | 0.78 | SIGMAR1 (0.65) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| Hydrochloric Acid SCHEMBL6820160 | 0.78 | SIGMAR1 (0.41) | SIGMAR1DRD2 | |
| Hydrochloric Acid SCHEMBL20955046 | 0.77 | SIGMAR1 (0.67) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6803372-B2 | SUCH AS CIS-N-(4-BENZOYLPHENYL)-4-HYDROXY-3'-OXOSPIRO (CYCLOHEXANE-1,1' (3'H)-ISOBENZOFURAN)-4-CARBOXAMIDE FOR USE AS NEUROPEPTIDE Y RECEPTOR ANTAGONIST FOR TREATMENT BULIMIA, OBESITY OR DIABETES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-10-12 | — | — | US | disclosed |
| US-6723847-B2 | 3-OXO-N-(5-PHENYL-2-PYRIMIDINYL)SPIRO(4-AZAISOBENZOFURAN-1 (3H),1'-CYCLOHEXANE)-4'-CARBOXAMIDE; NEUROPEPTIDE Y RECEPTOR ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2004-04-20 | — | — | US | disclosed |
| US-20030220499-A1 | Novel spiro compounds | MSD K.K. (JP) | 2003-11-27 | — | — | US | disclosed |
| US-6649624-B2 | Useful as neuropeptide Y receptor antagonists and as agents for therapy of cardiovascular disorders, central nervous system disorders, metabolic diseases | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2003-11-18 | — | — | US | disclosed |
| EP-1204663-B1 | NOVEL SPIRO COMPOUNDS WITH NEUROPEPTIDE Y ANTAGONISTIC ACTIVITY | BANYU PHARMA CO LTD (JP) | 2003-10-29 | — | — | EP | disclosed |
| US-20030055251-A1 | Novel spiro compounds | MSD K.K. (JP) | 2003-03-20 | — | — | US | disclosed |
| US-20020188124-A1 | Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes | MSD K.K. (JP) | 2002-12-12 | — | — | US | disclosed |
| US-20020165391-A1 | Neuropeptide Y receptor antagonists | MSD K.K. (JP) | 2002-11-07 | — | — | US | disclosed |
| US-6462053-B1 | NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; CARDIOVASCULAR AND CENTRAL NERVOUS SYSTEM DISORDERS AND METABOLIC DISEASES; HYPERTENSION, NEPHROPATHY, HEART DISEASE, VASOSPASM, ARTERIOSCLEROSIS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-10-08 | — | — | US | disclosed |
| US-6388077-B1 | CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-05-14 | — | — | US | disclosed |
| US-20020052371-A1 | NOVEL SPIRO COMPOUNDS | MSD K.K. (JP) | 2002-05-02 | — | — | US | disclosed |
| US-6335345-B1 | NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-01-01 | — | — | US | disclosed |
| US-6326375-B1 | CONTAINING AN UREA GROUP | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2001-12-04 | — | — | US | 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 (5 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-20020188124-A1 | Such as cis-N-(4-benzoylphenyl)-4-hydroxy-3'-oxospiro (cyclohexane-1,1' (3'H)-isobenzofuran)-4-carboxamide for use as neuropeptide Y receptor antagonist for treatment bulimia, obesity or diabetes | NPY1R, GPR119, NPY2R | SIGMAR1 152/4885GRIN2D 540/4885GRIN3B 950/4885 |
| US-20020052371-A1 | NOVEL SPIRO COMPOUNDS | GPR119, NPY1R, OPRK1 | SIGMAR1 58/4885GRIN2D 329/4885GRIN3B 412/4885 |
| US-20030055251-A1 | Novel spiro compounds | NPY1R, GPR119, OPRK1 | SIGMAR1 66/4885GRIN2D 398/4885GRIN3B 470/4885 |
| US-20030220499-A1 | Novel spiro compounds | NPY1R, OPRK1, OPRM1 | SIGMAR1 56/4885GRIN2D 320/4885GRIN3B 397/4885 |
| US-20020165391-A1 | Neuropeptide Y receptor antagonists | NPY1R, NPY2R, NPY4R | SIGMAR1 142/4885GRIN2D 247/4885GRIN3B 275/4885 |
“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.