Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2591103

Cl.Nc1ccc(C2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.63

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
DRD2 known ✓ P14416 4/20 0.57
HDAC3 known ✓ O15379 1/20 0.57
HDAC4 known ✓ P56524 1/20 0.57
HDAC1 known ✓ Q13547 1/20 0.57
HDAC7 known ✓ Q8WUI4 1/20 0.57
HDAC2 known ✓ Q92769 1/20 0.57
HDAC10 known ✓ Q969S8 1/20 0.57
HDAC11 known ✓ Q96DB2 1/20 0.57
HDAC8 known ✓ Q9BY41 1/20 0.57
HDAC6 known ✓ Q9UBN7 1/20 0.57
HDAC9 known ✓ Q9UKV0 1/20 0.57
HDAC5 known ✓ Q9UQL6 1/20 0.57
SIGMAR1 known ✓ Q99720 4/20 0.56
ACHE known ✓ P22303 2/20 0.54
CCR5 known ✓ P51681 2/20 0.53
BCHE known ✓ P06276 1/20 0.53
DRD4 known ✓ P21917 3/20 0.52
DRD3 known ✓ P35462 2/20 0.50
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63

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
SCHEMBL2588250 0.98 MEN1 (0.65) MEN1KMT2ADRD2HDAC3HDAC4
SCHEMBL3153917 0.92 MEN1 (0.74) MEN1KMT2ADRD2HDAC3HDAC4
SCHEMBL1002852 0.87 MEN1 (0.81) MEN1KMT2ADRD2SIGMAR1ACHE
Hydrochloric Acid SCHEMBL27545537 0.85 SIGMAR1 (0.64) MEN1KMT2ASIGMAR1ACHECCR5
SCHEMBL7571134 0.84 MEN1 (0.88) MEN1KMT2ADRD2SIGMAR1ACHE
SCHEMBL9070278 0.84 MEN1 (0.67) MEN1KMT2ADRD2HDAC3HDAC4
SCHEMBL27542888 0.83 SIGMAR1 (0.66) MEN1KMT2ASIGMAR1ACHECCR5
Hydrochloric Acid SCHEMBL11501364 0.83 MEN1 (0.66) MEN1KMT2ADRD2SIGMAR1ACHE
SCHEMBL11453030 0.83 POLB (0.67) MEN1KMT2ADRD2SIGMAR1ACHE
SCHEMBL8659907 0.83 MEN1 (0.65) MEN1KMT2ADRD2HDAC3HDAC4

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-24 US disclosed
US-9227935-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICAL N.V. (BE) 2016-01-05 US disclosed
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 US disclosed
US-8981094-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-03-17 US disclosed
EP-2152270-B1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-04 EP disclosed
US-8946228-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-02-03 US disclosed
EP-2155198-B1 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-08-13 EP disclosed
CN-101678013-B Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA NV 2014-05-07 CN disclosed
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
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
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 DRD2 4425/4885HDAC3 329/4885HDAC4 799/4885
US-20060241113-A1 Polyarylcarboxamides useful as lipid lowering agents LIPC, PNLIP, APOB DRD2 4425/4885HDAC3 329/4885HDAC4 799/4885
US-20110269747-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS LIPC, PNLIP, APOB DRD2 4425/4885HDAC3 329/4885HDAC4 799/4885
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, NAT1, SOAT1 DRD2 279/4885HDAC3 207/4885HDAC4 1457/4885
US-20040014971-A1 Polyarylcarboxamides useful as lipid lowering agents SREBF1, LIPC, CPT1A DRD2 4495/4885HDAC3 446/4885HDAC4 1000/4885
US-20070082888-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS LIPC, PNLIP, APOB DRD2 4425/4885HDAC3 329/4885HDAC4 799/4885
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, SOAT1 DRD2 244/4885HDAC3 258/4885HDAC4 1688/4885

“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.