Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4853148

Cl.O=C(O)[C@@H](Cc1ccccc1)NCl

nearest known ligand 0.57

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 17)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.52
ACE known ✓ P12821 2/20 0.51
MME P08473 4/20 0.57
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.55
NAALAD2 Q9Y3Q0 2/20 0.54
FOLH1 Q04609 1/20 0.53
MMP2 P08253 4/20 0.53
MMP9 P14780 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADAMTS4 O75173 1/20 0.53
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
CPA1 P15085 2/20 0.51
ACE2 Q9BYF1 2/20 0.51

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 SCHEMBL11661899 1.00 MME (0.57) MMENPSR1CYP1A2NAALAD2FOLH1
Hydrochloric Acid SCHEMBL4853154 1.00 MME (0.57) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL468452 0.98 MME (0.59) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL468451 0.98 MME (0.59) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL2782953 0.98 MME (0.59) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL10065875 0.89 MME (0.62) MMEMMP2MMP9ADAMTS4ACE
Dl-Phenylalanine SCHEMBL28412905 0.88 SLC7A5 (0.73) MMEALPIPKMPTGS1XIAP
SCHEMBL2238484 0.85 MME (0.48) MMENPSR1CYP1A2NAALAD2FOLH1
SCHEMBL2238482 0.85 MME (0.48) MMENPSR1CYP1A2NAALAD2FOLH1
Hydrochloric Acid SCHEMBL5691387 0.84 MME (0.57) MMENPSR1CYP1A2NAALAD2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314879-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2008-01-01 US disclosed
US-7291619-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
US-7169777-B2 Melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-30 US disclosed
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
EP-1469851-B1 MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2006-10-11 EP disclosed
EP-1370558-B1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-24 EP disclosed
EP-1368340-B1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-10 EP disclosed
US-20050075344-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1469851-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2004-10-27 EP disclosed
US-20040092507-A1 Melanocortin receptor agonists ELI LILLY AND COMPANY 2004-05-13 US disclosed
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-04-29 US disclosed
US-20040058936-A1 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-03-25 US disclosed
EP-1370558-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-17 EP disclosed
EP-1368340-A1 PIPERAZINE DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-10 EP disclosed
EP-1368339-A1 SUBSTITUTED PIPERIDINES/PIPERAZINES AS MELANOCORTIN RECEPTOR AGONISTS Eli Lilly & Company (US) 2003-12-10 EP disclosed
WO-2003061660-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-07-31 WO disclosed
WO-2002059107-A1 SUBSTITUTED PIPERIDINES/PIPERAZINES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed
WO-2002059108-A1 MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed
WO-2002059117-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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 (4 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-20040092507-A1 Melanocortin receptor agonists MC1R, MC4R, MC5R PTGS1 1615/4885ACE 2426/4885MME 821/4885
US-20050075344-A1 Melanocortin receptor agonists MC4R, MC1R, MC5R PTGS1 2032/4885ACE 2488/4885MME 771/4885
US-20040058936-A1 Substituted piperidines/piperazines as melanocortin receptor agonists MC1R, MC4R, MC5R PTGS1 1513/4885ACE 2963/4885MME 1246/4885
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists MC1R, MC4R, MC5R PTGS1 1192/4885ACE 3090/4885MME 1371/4885

“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.