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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.44 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.44 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.44 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.44 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.44 |
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.36 |
| ▸ | FLT1 known ✓ | P17948 | 2/20 | 0.36 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.36 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.35 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.47 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3522572 | 0.99 | CNR1 (0.48) | CNR1SLC6A2SLC6A3SLC6A4HTR2A | |
| SCHEMBL3521154 | 0.86 | CNR1 (0.51) | CNR1SLC6A2SLC6A3SLC6A4HTR2A | |
| Hydrochloric Acid SCHEMBL5166456 | 0.83 | LMNA (0.40) | CNR1SLC6A2SLC6A3SLC6A4HTR2A | |
| Hydrochloric Acid SCHEMBL3523411 | 0.83 | CNR1 (0.44) | CNR1SLC6A2SLC6A3SLC6A4HTR2A | |
| SCHEMBL13500869 | 0.82 | CNR1 (0.45) | CNR1SLC6A2SLC6A3SLC6A4HTR2A | |
| SCHEMBL27643177 | 0.79 | CNR1 (0.46) | CNR1SLC6A2SLC6A3SLC6A4HTR2A | |
| SCHEMBL3523525 | 0.75 | CNR1 (0.59) | CNR1LMNAPMP22NLRP3CYP3A4 | |
| Hydrochloric Acid SCHEMBL3517240 | 0.74 | CYP1A2 (0.39) | CNR1SLC6A2SLC6A3SLC6A4HTR2A | |
| SCHEMBL13500866 | 0.72 | CYP1A2 (0.40) | CNR1SLC6A2SLC6A3SLC6A4HTR2A | |
| SCHEMBL3522511 | 0.72 | CNR1 (0.45) | CNR1SLC6A2SLC6A3SLC6A4HTR2A |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575901-B1 | SUBSTITUTED AMIDES | MERCK SHARP & DOHME (US) | 2012-10-10 | — | — | EP | disclosed |
| US-7667053-B2 | Cannabinoid-1 (CB1) receptor antagonists and/or inverse agonists; e.g. N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-1,4-benzodioxane-2-carboxamide; psychological disorders, eating disorders | MERCK & CO., INC. (US) | 2010-02-23 | — | — | US | disclosed |
| US-7576239-B2 | Substituted amides | MERCK & CO., INC. (US) | 2009-08-18 | — | — | US | disclosed |
| EP-1575901-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2009-03-18 | — | — | EP | disclosed |
| US-7423067-B2 | N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse | MERCK & CO., INC. (US) | 2008-09-09 | — | — | US | disclosed |
| US-20080194645-A1 | Substituted amides | MERCK SHARP & DOHME CORP. | 2008-08-14 | — | — | US | disclosed |
| US-7348456-B2 | Substituted amides | MERCK & CO., INC. (US) | 2008-03-25 | — | — | US | disclosed |
| EP-1499306-A4 | BICYCLIC AMIDES | MERCK & CO INC (US) | 2007-03-28 | — | — | EP | disclosed |
| US-20060106071-A1 | Substituted amides | MERCK SHARP & DOHME CORP. | 2006-05-18 | — | — | US | disclosed |
| US-20050239828-A1 | Spirocyclic amides as cannabinoid receptor modulators | MERCK & CO., INC. (US) | 2005-10-27 | — | — | US | disclosed |
| EP-1575901-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (a New Jersey corp.) (US) | 2005-09-21 | — | — | EP | disclosed |
| US-20050203112-A1 | Bicyclic amides | MERCK SHARP & DOHME CORP. | 2005-09-15 | — | — | US | disclosed |
| US-20050154202-A1 | Substituted aryl amides | MERCK & CO., INC. | 2005-07-14 | — | — | US | disclosed |
| EP-1499306-A2 | BICYCLIC AMIDES | Merck & Co., Inc. (US) | 2005-01-26 | — | — | EP | disclosed |
| WO-2004058145-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2004-07-15 | — | — | WO | disclosed |
| WO-2003086288-A2 | BICYCLIC AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | 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 (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-20060106071-A1 | Substituted amides | CNR1, CNR2, FAAH | SLC6A2 1525/4885SLC6A3 2303/4885SLC6A4 2167/4885 |
| US-20050154202-A1 | Substituted aryl amides | CNR1, CNR2, FAAH | SLC6A2 1641/4885SLC6A3 2109/4885SLC6A4 2261/4885 |
| US-20050203112-A1 | Bicyclic amides | CNR1, CNR2, FAAH | SLC6A2 1786/4885SLC6A3 2824/4885SLC6A4 2699/4885 |
| US-20080194645-A1 | Substituted amides | CNR1, CNR2, FAAH | SLC6A2 1525/4885SLC6A3 2303/4885SLC6A4 2167/4885 |
| US-20050239828-A1 | Spirocyclic amides as cannabinoid receptor modulators | CNR1, CNR2, MAG | SLC6A2 2117/4885SLC6A3 2989/4885SLC6A4 3182/4885 |
“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.