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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 known ✓ | P25103 | 9/20 | 0.50 |
| ▸ | CACNA1F known ✓ | O60840 | 1/20 | 0.41 |
| ▸ | CACNA1D known ✓ | Q01668 | 1/20 | 0.41 |
| ▸ | CACNA1S known ✓ | Q13698 | 1/20 | 0.41 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.41 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 4/20 | 0.50 |
| ▸ | TDO2 | P48775 | 2/20 | 0.50 |
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | TACR3 | P29371 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17439064 | 1.00 | TACR1 (0.50) | TACR1IDO1TDO2PDE2ACACNA1F | |
| Hydrochloric Acid SCHEMBL7170075 | 1.00 | TACR1 (0.50) | TACR1IDO1TDO2PDE2ACACNA1F | |
| SCHEMBL336049 | 0.98 | TACR1 (0.51) | TACR1IDO1TDO2PDE2ACACNA1F | |
| SCHEMBL1728680 | 0.98 | TACR1 (0.51) | TACR1IDO1TDO2PDE2ACACNA1F | |
| SCHEMBL1492761 | 0.98 | TACR1 (0.51) | TACR1IDO1TDO2PDE2ACACNA1F | |
| SCHEMBL7939177 | 0.98 | TACR1 (0.51) | TACR1IDO1TDO2PDE2ACACNA1F | |
| SCHEMBL6917133 | 0.98 | TACR1 (0.51) | TACR1IDO1TDO2PDE2ACACNA1F | |
| Methane SCHEMBL4258949 | 0.95 | TACR1 (0.50) | TACR1IDO1TDO2PDE2ACACNA1F | |
| Hydrochloric Acid SCHEMBL23326533 | 0.88 | SOS1 (0.42) | TACR1IDO1TDO2PDE2AHTR2A | |
| Hydrochloric Acid SCHEMBL23326532 | 0.88 | SOS1 (0.42) | TACR1IDO1TDO2PDE2AHTR2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7514431-B2 | Piperidinyl cyclopentyl aryl benzylamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-04-07 | — | — | US | disclosed |
| EP-1558576-A4 | PIPERIDINYL CYCLOPENTYL ARYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2008-04-16 | — | — | EP | disclosed |
| US-20060173013-A1 | Piperidinyl cyclopentyl aryl benzylamide modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2006-08-03 | — | — | US | disclosed |
| US-6953792-B2 | Cyclohexyl derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |
| EP-1558576-A2 | PIPERIDINYL CYCLOPENTYL ARYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004041163-A2 | PIPERIDINYL CYCLOPENTYL ARYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | disclosed |
| US-20030225059-A1 | Cyclohexyl derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2003-12-04 | — | — | US | disclosed |
| EP-1286978-A1 | CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087866-A1 | CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | 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 (2 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-20060173013-A1 | Piperidinyl cyclopentyl aryl benzylamide modulators of chemokine receptor activity | CCR2, CCR1, CCRL2 | TACR1 82/4885CACNA1F 3002/4885CACNA1D 2681/4885 |
| US-20030225059-A1 | Cyclohexyl derivatives and their use as therapeutic agents | CNR2, CNR1, HRH2 | TACR1 389/4885CACNA1F 1182/4885CACNA1D 1434/4885 |
“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.