Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2579600

Cl.O=C(Nc1ccc(C2CCN(C(C(=O)O)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

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 7)

geneUniProtsupporting neighboursconfidence
MTTP P55157 14/20 0.51
NPY2R P49146 2/20 0.49
APOB P04114 5/20 0.48
KLRK1 P26718 1/20 0.47
MICA Q29983 1/20 0.47
RAET1L Q5VY80 1/20 0.47
FPR2 P25090 2/20 0.46

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
SCHEMBL904380 0.99 MTTP (0.52) MTTPNPY2RAPOBKLRK1MICA
SCHEMBL904381 0.99 MTTP (0.52) MTTPNPY2RAPOBKLRK1MICA
SCHEMBL904386 0.99 MTTP (0.52) MTTPNPY2RAPOBKLRK1MICA
SCHEMBL12174424 0.92 MTTP (0.51) MTTPNPY2RAPOBKLRK1MICA
SCHEMBL14748022 0.91 NPY2R (0.51) MTTPNPY2RAPOBKLRK1MICA
SCHEMBL14748036 0.91 NPY2R (0.51) MTTPNPY2RAPOBKLRK1MICA
SCHEMBL14748023 0.91 NPY2R (0.51) MTTPNPY2RAPOBKLRK1MICA
Usistapide SCHEMBL29376869 0.91 NPY2R (0.62) MTTPNPY2RAPOBKLRK1MICA
Usistapide SCHEMBL803532 0.91 NPY2R (0.62) MTTPNPY2RAPOBKLRK1MICA
Usistapide SCHEMBL785394 0.91 NPY2R (0.62) MTTPNPY2RAPOBKLRK1MICA

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-8354402-B2 Polyarylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-15 US disclosed
US-20110269747-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS MEERPOEL LIEVEN 2011-11-03 US disclosed
EP-1317431-B1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS JANSSEN PHARMACEUTICA NV (BE) 2010-10-20 EP disclosed
US-7642378-B2 Lipid lowering biphenylcarboxamides JANSSEN PHARMACEUTICA NV (BE) 2010-01-05 US disclosed
US-7528154-B2 Polyarylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICAL N.V. (BE) 2009-05-05 US disclosed
US-20080125412-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS MEERPOEL LIEVEN 2008-05-29 US disclosed
US-20080081813-A1 Lipid Lowering Biphenylcarboxamides JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-03 US disclosed
US-7253157-B2 Polyarylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-07 US disclosed
EP-1806341-A2 (+)Phenyl-(4-{4-[(4'-trifluoromethyl-biphenyl-2-carbonyl)-amino]-phenyl}-piperidin-1-yl)-acetic acid methyl ester as lipid lowering agent JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-11 EP disclosed
US-20070082888-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS MEERPOEL LIEVEN 2007-04-12 US disclosed
US-7169796-B2 Polyarylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-30 US disclosed
EP-1379515-B1 LIPID LOWERING BIPHENYLCARBOXAMIDES JANSSEN PHARMACEUTICA NV (BE) 2006-12-27 EP disclosed
US-20060241113-A1 Polyarylcarboxamides useful as lipid lowering agents MEERPOEL LIEVEN 2006-10-26 US disclosed
US-20050159402-A1 Polyarylcarboxamides useful as lipid lowering agents MEERPOEL LIEVEN (BE) 2005-07-21 US disclosed
US-6878724-B2 Polyarylcarboxamides useful as lipid lowering agents JANSSEN-PHARMACEUTICA N.V. (BE) 2005-04-12 US disclosed
US-20040014971-A1 Polyarylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 US disclosed
EP-1317431-A2 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-06-11 EP disclosed
WO-2002020501-A2 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2002-03-14 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 (7 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-20050159402-A1 Polyarylcarboxamides useful as lipid lowering agents LIPC, PNLIP, APOB MTTP 9/4885NPY2R 4187/4885APOB 3/4885
US-20080081813-A1 Lipid Lowering Biphenylcarboxamides LIPC, PNLIP, LIPA MTTP 20/4885NPY2R 1487/4885APOB 17/4885
US-20080125412-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS LIPC, PNLIP, APOB MTTP 9/4885NPY2R 4187/4885APOB 3/4885
US-20060241113-A1 Polyarylcarboxamides useful as lipid lowering agents LIPC, PNLIP, APOB MTTP 9/4885NPY2R 4187/4885APOB 3/4885
US-20110269747-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS LIPC, PNLIP, APOB MTTP 9/4885NPY2R 4187/4885APOB 3/4885
US-20040014971-A1 Polyarylcarboxamides useful as lipid lowering agents SREBF1, LIPC, CPT1A MTTP 20/4885NPY2R 4449/4885APOB 7/4885
US-20070082888-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS LIPC, PNLIP, APOB MTTP 9/4885NPY2R 4187/4885APOB 3/4885

“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.