Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2529676

Cl.c1ccc(C2(c3nn[nH]n3)CCNCC2)cc1

nearest known ligand 0.58

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
OPRM1 known ✓ P35372 2/20 0.58
HTR2A known ✓ P28223 1/20 0.50
PDE5A known ✓ O76074 1/20 0.38
OPRD1 known ✓ P41143 1/20 0.37
HSD11B1 known ✓ P28845 1/20 0.36
TACR1 known ✓ P25103 1/20 0.34
KMT2A Q03164 6/20 0.54
TET3 O43151 4/20 0.54
FBXL19 Q6PCT2 4/20 0.54
TET1 Q8NFU7 4/20 0.54
KDM2B Q8NHM5 4/20 0.54
CXXC4 Q9H2H0 4/20 0.54
KDM2A Q9Y2K7 4/20 0.54
CXXC5 Q7LFL8 3/20 0.54
AKT2 P31751 1/20 0.43
MAP4K4 O95819 1/20 0.38
LPAR1 Q92633 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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 SCHEMBL28758425 0.98 OPRM1 (0.56) OPRM1KMT2ATET3FBXL19TET1
SCHEMBL2526312 0.98 OPRM1 (0.59) OPRM1KMT2ATET3FBXL19TET1
SCHEMBL31147394 0.80 KMT2A (0.59) OPRM1KMT2ATET3FBXL19TET1
Hydrochloric Acid SCHEMBL1765284 0.77 OPRM1 (0.95) OPRM1KMT2AHTR2AAKT2TACR1
SCHEMBL738518 0.75 OPRM1 (1.00) OPRM1KMT2AHTR2AAKT2TACR1
SCHEMBL2529201 0.75 KMT2A (0.57) OPRM1KMT2ATET3FBXL19TET1
SCHEMBL14520965 0.74 TET3 (0.72) OPRM1KMT2ATET3FBXL19TET1
SCHEMBL1579590 0.73 OPRM1 (0.59) OPRM1KMT2ATET3FBXL19TET1
SCHEMBL12216249 0.73 OPRM1 (0.59) OPRM1KMT2ATET3FBXL19TET1
SCHEMBL29277492 0.72 KMT2A (0.45) KMT2ATET3FBXL19TET1KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8039636-B2 Methods for making 4-tetrazolyl-4-phenylpiperidine compounds PURDUE PHARMA L.P. (US) 2011-10-18 US disclosed
US-20090240056-A1 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2009-09-24 US disclosed
US-7557219-B2 Methods for making 4-tetrazolyl-4-phenylpiperidine compounds PURDUE PHARMA L.P. (US) 2009-07-07 US disclosed
US-20070072909-A1 deblocking, deprotecting; debenzylation; for preventing pain, diarrhea EURO-CELTIQUE S.A. 2007-03-29 US disclosed
EP-1709029-A2 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2006-10-11 EP disclosed
WO-2005075455-A2 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS EURO-CELTIQUE S.A. (LU) 2005-08-18 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 (2 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-20070072909-A1 deblocking, deprotecting; debenzylation; for preventing pain, diarrhea OPRL1, DECR1, PKD1 OPRM1 250/4885HTR2A 784/4885PDE5A 3067/4885
US-20090240056-A1 METHODS FOR MAKING 4-TETRAZOLYL-4-PHENYLPIPERIDINE COMPOUNDS NAT1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR OPRM1 211/4885HTR2A 482/4885PDE5A 3902/4885

“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.