Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4198786

CN(Cc1ccccc1)C(=O)[C@H](N)c1ccccc1.Cl.O

nearest known ligand 0.56

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 14)

geneUniProtsupporting neighboursconfidence
TACR1 known ✓ P25103 1/20 0.47
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 2/20 0.55
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
RIPK1 Q13546 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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 SCHEMBL27583752 1.00 HPGD (0.56) HPGDTDP1KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL4203336 1.00 HPGD (0.56) HPGDTDP1KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL4208519 0.98 HPGD (0.58) HPGDTDP1KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL27601234 0.98 HPGD (0.58) HPGDTDP1KMT2AMEN1NPC1
SCHEMBL4204369 0.97 HPGD (0.59) HPGDTDP1KMT2AMEN1NPC1
SCHEMBL4192663 0.97 HPGD (0.59) HPGDTDP1KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL3239786 0.88 TDP1 (0.72) HPGDTDP1KMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL3239776 0.88 TDP1 (0.72) HPGDTDP1KMT2AMEN1NPC1
SCHEMBL4933726 0.87 TDP1 (0.74) HPGDTDP1KMT2AMEN1NPC1
SCHEMBL3168587 0.87 TDP1 (0.74) HPGDTDP1KMT2AMEN1NPC1

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 11 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
US-20030187053-A1 Triamide-substituted heterobicyclic compounds PFIZER INC. 2003-10-02 US 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 TACR1 1221/4885HPGD 4671/4885TDP1 972/4885
US-20040087625-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP TACR1 1913/4885HPGD 4624/4885TDP1 652/4885
US-20050288335-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP TACR1 1221/4885HPGD 4671/4885TDP1 972/4885
US-20030187053-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP TACR1 1913/4885HPGD 4624/4885TDP1 652/4885
US-20050080108-A1 Triamide-substituted heterobicyclic compounds APOB, LIPC, MTTP TACR1 1493/4885HPGD 4667/4885TDP1 896/4885

“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.