Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3887925

CC(=O)NCCN1CCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2C1.Cl

nearest known ligand 0.59

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 10)

geneUniProtsupporting neighboursconfidence
▸ GAA known ✓ P10253 2/20 0.46
▸ MTTP P55157 12/20 0.59
▸ APOB P04114 9/20 0.59
▸ SMO Q99835 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TRPV4 Q9HBA0 1/20 0.43

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 SCHEMBL8408661 1.00 MTTP (0.59) MTTPAPOBSMOKDM4EGAA
Hydrochloric Acid SCHEMBL8410108 0.99 MTTP (0.58) MTTPAPOBSMOKDM4EGAA
SCHEMBL691418 0.99 MTTP (0.59) MTTPAPOBSMOKDM4EGAA
SCHEMBL8213429 0.92 APOB (0.55) MTTPAPOBSMOKDM4EGAA
SCHEMBL8207484 0.91 MTTP (0.53) MTTPAPOBSMOKDM4EGAA
SCHEMBL692958 0.91 APOB (0.60) MTTPAPOBSMOKDM4EGAA
SCHEMBL8208061 0.91 MTTP (0.53) MTTPAPOBSMOKDM4EGAA
SCHEMBL8200807 0.91 MTTP (0.53) MTTPAPOBSMOKDM4EGAA
SCHEMBL8199883 0.91 APOB (0.61) MTTPAPOBSMOKDM4EGAA
SCHEMBL8206946 0.91 APOB (0.54) MTTPAPOBSMOKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968950-A Apo B-secretion/MTP inhibitor hydrochloride salt PFIZER INC (US) 1999-10-19 — — US claimed
EP-0887345-A1 4'-trifluoromethylbiphenyl-2-carboxylic acid-[2-(2-acetylaminoethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]amide hydrochloride as apo B-secretion/MTP inhibitors PFIZER INC. (US) 1998-12-30 — — EP claimed
JP-11060557-A — — None — — JP disclosed
US-7538124-B2 Biphenylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-26 — — US disclosed
US-20080275087-A1 BIPHENYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS MEERPOEL LIEVEN 2008-11-06 — — US disclosed
US-7405307-B2 Biphenylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-29 — — US disclosed
US-20080009522-A1 BIPHENYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS MEERPOEL LIEVEN 2008-01-10 — — US disclosed
US-7304167-B2 Biphenylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-04 — — US disclosed
US-7244848-B2 Biphenylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-17 — — US disclosed
US-7135586-B2 Biphenylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA, NV (BE) 2006-11-14 — — US disclosed
EP-1339685-B1 BIPHENYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS JANSSEN PHARMACEUTICA NV (BE) 2006-11-02 — — EP disclosed
US-20060128973-A1 Biphenylcarboxamides useful as lipid lowering agents MEERPOEL LIEVEN 2006-06-15 — — US disclosed
US-20060128972-A1 Biphenylcarboxamides useful as lipid lowering agents MEERPOEL LIEVEN 2006-06-15 — — US disclosed
US-20040102490-A1 Biphenylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2004-05-27 — — US disclosed
US-5968950-A Apo B-secretion/MTP inhibitor hydrochloride salt PFIZER INC (US) 1999-10-19 — — US disclosed
JP-H1160557-A HYDROCHLORIDE OF APO B SECRETION/MTP INHIBITOR PFIZER INC 1999-03-02 — — JP disclosed
EP-0887345-A1 4'-trifluoromethylbiphenyl-2-carboxylic acid-[2-(2-acetylaminoethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]amide hydrochloride as apo B-secretion/MTP inhibitors PFIZER INC. (US) 1998-12-30 — — EP disclosed
EP-0887345-A1 4'-trifluoromethylbiphenyl-2-carboxylic acid-[2-(2-acetylaminoethyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]amide hydrochloride as apo B-secretion/MTP inhibitors PFIZER INC. (US) 1998-12-30 — — EP 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-20080009522-A1 BIPHENYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS LIPC, PNLIP, FABP4 GAA 531/4885MTTP 22/4885APOB 13/4885
US-20080275087-A1 BIPHENYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS LIPC, PNLIP, FABP4 GAA 531/4885MTTP 22/4885APOB 13/4885
US-20060128972-A1 Biphenylcarboxamides useful as lipid lowering agents LIPC, PNLIP, FABP4 GAA 531/4885MTTP 22/4885APOB 13/4885
US-20060128973-A1 Biphenylcarboxamides useful as lipid lowering agents LIPC, PNLIP, FABP4 GAA 531/4885MTTP 22/4885APOB 13/4885
US-20040102490-A1 Biphenylcarboxamides useful as lipid lowering agents LIPC, PNLIP, FABP4 GAA 732/4885MTTP 37/4885APOB 24/4885

“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.

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