Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2955045

CCNc1ccccc1C(=O)CC.Cl

nearest known ligand 0.45

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 20)

geneUniProtsupporting neighboursconfidence
AGTR1 known ✓ P30556 2/20 0.45
GLA known ✓ P06280 1/20 0.44
JAK2 known ✓ O60674 2/20 0.43
JAK1 known ✓ P23458 2/20 0.43
GAA known ✓ P10253 1/20 0.41
ADRA1D known ✓ P25100 1/20 0.40
ADRA1A known ✓ P35348 1/20 0.40
ADRA1B known ✓ P35368 1/20 0.40
KDM4E B2RXH2 3/20 0.45
RAB9A P51151 2/20 0.45
FABP4 P15090 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ELANE P08246 1/20 0.43
PRTN3 P24158 1/20 0.43
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
IDO1 P14902 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL4184556 0.98 KDM4E (0.46) KDM4ERAB9AAGTR1FABP4GLA
SCHEMBL2920235 0.84 KDM4E (0.44) KDM4ERAB9AAGTR1GLAALDH1A1
SCHEMBL27611476 0.84 KDM4E (0.44) KDM4ERAB9AAGTR1GLAALDH1A1
SCHEMBL20274413 0.84 KDM4E (0.50) KDM4ERAB9AAGTR1GLAALDH1A1
Hydrochloric Acid SCHEMBL8584876 0.83 KDM4E (0.56) KDM4ERAB9AFABP4ALDH1A1NPC1
SCHEMBL2001238 0.82 FABP4 (0.48) KDM4ERAB9AAGTR1FABP4GLA
Hydrochloric Acid SCHEMBL5389527 0.81 AGTR1 (0.53) KDM4ERAB9AAGTR1ALDH1A1JAK2
SCHEMBL605325 0.81 KDM4E (0.58) KDM4ERAB9AFABP4ALDH1A1NPC1
SCHEMBL7959032 0.81 ALDH1A1 (0.45) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL6088062 0.81 JAK2 (0.48) KDM4ERAB9AAGTR1FABP4GLA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767819-B2 Thiazolylimidazole derivatives and their use as inhibitors of microsomal triglyceride transfer protein MERCK PATENT GMBH (DE) 2010-08-03 US disclosed
US-20100137601-A1 THIAZOLYLIMIDAZOLE DERIVATIVES AN THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN GUEDAT PHILIPPE 2010-06-03 US disclosed
US-7674803-B2 Thiazolypiperidine derivatives as MTP inhibitors MERCK PATENT GMBH (DE) 2010-03-09 US disclosed
EP-1636218-B1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2009-03-25 EP disclosed
US-20080214610-A1 Thiazolylimidazole Derivatives and Their Use as Inhibitors of Microsmal Triglyceride Transfer Protein MERCK PATENT GMBH (DE) 2008-09-04 US disclosed
US-20070054939-A1 Thiazolypiperidine derivatives as mtp inhibitors MERCK PATNET GMBH (DE) 2007-03-08 US disclosed
EP-1711180-A1 THIAZOLYLIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN MERCK PATENT GmbH (DE) 2006-10-18 EP disclosed
EP-1636218-A1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GmbH (DE) 2006-03-22 EP disclosed
WO-2005074934-A1 THIAZOLYLIMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF MICROSMAL TRIGLYCE RIDE TRANSFER PROTEIN MERCK PATENT GMBH (DE) 2005-08-18 WO disclosed
WO-2005003128-A1 THIAZOLYLPIPERIDINE DERIVATIVES AS MTP INHIBITORS MERCK PATENT GMBH (DE) 2005-01-13 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-20100137601-A1 THIAZOLYLIMIDAZOLE DERIVATIVES AN THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN MTTP, CETP, CYP4F2 AGTR1 1491/4885GLA 2601/4885JAK2 1806/4885
US-20080214610-A1 Thiazolylimidazole Derivatives and Their Use as Inhibitors of Microsmal Triglyceride Transfer Protein MTTP, CETP, MTR AGTR1 1837/4885GLA 1996/4885JAK2 1221/4885
US-20070054939-A1 Thiazolypiperidine derivatives as mtp inhibitors MTTP, CETP, APOB AGTR1 149/4885GLA 1514/4885JAK2 522/4885

“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.