Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4196019

CCNC(=O)[C@@H](N)c1ccccc1.Cl

nearest known ligand 0.55

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 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GLS O94925 3/20 0.44
PRMT5 O14744 4/20 0.44
WDR77 Q9BQA1 4/20 0.44
NAAA Q02083 2/20 0.43
POLB P06746 2/20 0.43
CTSD P07339 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
BCAT2 O15382 1/20 0.42

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 SCHEMBL28750033 1.00 PKM (0.55) PKMMEN1KMT2AGLSPRMT5
SCHEMBL4838617 0.98 PKM (0.57) PKMMEN1KMT2AGLSPRMT5
SCHEMBL3746577 0.98 PKM (0.57) PKMMEN1KMT2AGLSPRMT5
Hydrochloric Acid SCHEMBL6254514 0.86 NAAA (0.51) NAAAPOLBMTNR1AMTNR1BBCAT2
Hydrochloric Acid SCHEMBL4199636 0.86 NAAA (0.51) NAAAPOLBMTNR1AMTNR1BBCAT2
SCHEMBL4201389 0.84 NAAA (0.53) NAAAPOLBMTNR1AMTNR1BBCAT2
Hydrochloric Acid SCHEMBL21995188 0.83 GLS (0.43) GLSPRMT5WDR77CTSDMTNR1A
Hydrochloric Acid SCHEMBL21995191 0.83 GLS (0.43) GLSPRMT5WDR77CTSDMTNR1A
Hydrochloric Acid SCHEMBL4933073 0.82 NAAA (0.67) NAAA
Hydrochloric Acid SCHEMBL4933082 0.82 NAAA (0.67) NAAA

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482368-B2 Triamide-substituted heterobicyclic compounds PFIZER INC (US) 2009-01-27 US disclosed
EP-1404653-B1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION PFIZER PROD INC (US) 2008-08-20 EP disclosed
US-7348355-B2 Treating obesity with the Microsomal triglyceride transfer protein inhibitor (S) N-{2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl}-1-methyl-5-[4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamido]-1H-indole-2-carboxamide and another lipid lowering agent such as a statin or fibrate PFIZER INC. (US) 2008-03-25 US disclosed
US-20060194772-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2006-08-31 US disclosed
US-20050288335-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2005-12-29 US disclosed
US-6979692-B2 such as (S)-1-ethyl-5-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-1H-indole-2-carboxylic acid-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]amide; for treatment of obesity and lipid disorders; diabetes PFIZER INC. (US) 2005-12-27 US disclosed
US-6949572-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2005-09-27 US disclosed
US-20050080108-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2005-04-14 US disclosed
US-20040087625-A1 Triamide-substituted heterobicyclic compounds PFIZER INC 2004-05-06 US disclosed
US-6720351-B2 1H-INDOLE-2-CARBOXYLIC ACID (2-(BENZYL(METHYL)AMINO) -2-OXO-1-PHENYLETHYL)AMIDES; TRIAMIDE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) INHIBITORS; OBESITY; ANTILIPEMIC AGENTS PFIZER INC. 2004-04-13 US disclosed
EP-1404653-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION Pfizer Products Inc. (US) 2004-04-07 EP disclosed
US-20030187053-A1 Triamide-substituted heterobicyclic compounds PFIZER INC. 2003-10-02 US disclosed
WO-2003002533-A1 TRIAMIDE-SUBSTITUTED INDOLES, BENZOFURANES AND BENZOTHIOPHENES AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND/OR APOLIPOPROTEIN B (APO B) SECRETION PFIZER PRODUCTS INC. (US) 2003-01-09 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060194772-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP PKM 4093/4885MEN1 2197/4885KMT2A 2232/4885
US-20040087625-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP PKM 4065/4885MEN1 2280/4885KMT2A 2493/4885
US-20050288335-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP PKM 4093/4885MEN1 2197/4885KMT2A 2232/4885
US-20030187053-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP PKM 4065/4885MEN1 2280/4885KMT2A 2493/4885
US-20050080108-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP PKM 4022/4885MEN1 2049/4885KMT2A 2013/4885

“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.