Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2888051

CS(=O)(=O)N1CC2(CCNCC2)c2ccccc21.Cl

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

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 2)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 19/20 0.54
▸ NOTUM Q6P988 1/20 0.49

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7123289 1.00 NPY5R (0.54) NPY5RNOTUM
SCHEMBL30051797 0.99 NPY5R (0.55) NPY5RNOTUM
SCHEMBL38332 0.99 NPY5R (0.55) NPY5RNOTUM
SCHEMBL13563956 0.90 NPY5R (0.50) NPY5RNOTUM
SCHEMBL30425441 0.88 NOTUM (0.60) NPY5RNOTUM
SCHEMBL30051034 0.87 NPY5R (0.52) NPY5RNOTUM
Hydrochloric Acid SCHEMBL6215349 0.86 NPY5R (0.49) NPY5RNOTUM
Hydrochloric Acid SCHEMBL6216011 0.86 NPY5R (0.51) NPY5RNOTUM
SCHEMBL31572868 0.85 NOTUM (0.55) NPY5RNOTUM
SCHEMBL737327 0.84 NPY5R (0.50) NPY5RNOTUM

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803807-B2 Benzimidazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-28 — — US disclosed
US-7687514-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2010-03-30 — — US disclosed
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MSD K.K. (JP) 2010-02-25 — — US disclosed
EP-1603912-B1 SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2007-07-18 — — EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 — — US disclosed
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2006-10-26 — — US disclosed
US-20060205750-A1 Novel benzimidazole derivatives MSD K.K. (JP) 2006-09-14 — — US disclosed
US-7105526-B2 Benzimidazole derivatives BANYU PHARMACEUTICALS CO., LTD. (JP) 2006-09-12 — — US disclosed
EP-1129089-B1 SPIRO-INDOLINES AS Y5 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-12-28 — — EP disclosed
EP-1517908-A2 NOVEL BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-03-30 — — EP disclosed
WO-1997041879-A1 ENHANCEMENT OF SLEEP WITH A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-11-13 — — WO disclosed
US-5652235-A Method of using spiro piperidines to promote the release of growth hormone MERCK & CO., INC. (US) 1997-07-29 — — US disclosed
WO-1997015191-A1 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 — — WO disclosed
WO-1997015574-A1 POLYMORPHIC FORMS OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 — — WO disclosed
US-5536716-A Spiro piperidines and homologs which promote release of growth hormone MERCK & CO., INC. (US) 1996-07-16 — — US disclosed
EP-0702681-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO. INC. (US) 1996-03-27 — — EP disclosed
WO-1995011029-A1 COMBINATION OF BISPHOSPHONATES AND GROWTH HORMONE SECRETAGOGUES MERCK & CO., INC. (US) 1995-04-27 — — WO disclosed
WO-1994029309-A1 SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-12-22 — — WO disclosed
EP-0615977-A1 Spiro piperidines and homologs which promote release of growth hormone MERCK & CO. INC. (US) 1994-09-21 — — EP disclosed
WO-1994013696-A1 SPIRO PIPERIDINES AND HOMOLOGS WHICH PROMOTE RELEASE OF GROWTH HORMONE MERCK & CO., INC. (US) 1994-06-23 — — 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 (3 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060205750-A1 Novel benzimidazole derivatives NPY4R, NPY5R, NPY1R NPY5R 2/4885NOTUM 1614/4885
US-20100048600-A1 NOVEL BENZIMIDAZOLE DERIVATIVES NPY4R, NPY5R, NPY1R NPY5R 2/4885NOTUM 1614/4885
US-20060241123-A1 Substituted piperidine and piperazine derivatives as melanocortin-4 receptor modulators MC4R, MC5R, MC3R NPY5R 20/4885NOTUM 4674/4885

“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.

Send feedback