Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1133335

Cl.NCC(=O)OC(c1ccccc1)c1ccccc1

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 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 1/20 0.47
ESR2 known ✓ Q92731 1/20 0.47
SLC6A3 known ✓ Q01959 4/20 0.41
DRD3 known ✓ P35462 2/20 0.41
DRD2 known ✓ P14416 1/20 0.41
SLC6A2 known ✓ P23975 1/20 0.40
SLC6A4 known ✓ P31645 1/20 0.40
HTR2A known ✓ P28223 1/20 0.40
GAA known ✓ P10253 1/20 0.39
SRC known ✓ P12931 1/20 0.39
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
KIF11 P52732 1/20 0.44
IDO1 P14902 2/20 0.43
TDO2 P48775 2/20 0.43
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP1A2 P05177 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL1133337 0.98 CRHBP (0.53) CRHBPCRHR2ESR1ESR2KIF11
Hydrochloric Acid SCHEMBL27517458 0.84 CRHBP (0.48) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL32684616 0.82 CRHBP (0.56) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL9875296 0.82 CRHBP (0.60) CRHBPCRHR2ESR1ESR2KIF11
Hydrochloric Acid SCHEMBL7318199 0.81 HCAR2 (0.51) GABBR2GABBR1CYP2D6CYP1A2PKM
Glycine SCHEMBL28258751 0.81 CRHBP (0.49) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL11588080 0.81 GABBR2 (0.43) GABBR2GABBR1CYP2D6CYP1A2PKM
SCHEMBL16053132 0.81 GABBR2 (0.43) GABBR2GABBR1CYP2D6CYP1A2PKM
SCHEMBL27546315 0.80 CRHBP (0.48) CRHBPCRHR2ESR1ESR2KIF11
SCHEMBL7019902 0.80 CRHBP (0.54) CRHBPCRHR2ESR1ESR2KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115989341-A Method for manufacturing structure with conductive pattern 旭化成株式会社 2023-04-18 CN disclosed
US-20110230665-A1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION MICKEL STUART JOHN 2011-09-22 US disclosed
US-7973175-B2 pyrrolidine chemical intermediates useful in the synthesis of drugs, especially enzyme inhibitors, such as Aliskiren NOVARTIS AG (CH) 2011-07-05 US disclosed
EP-2287153-A1 Synthesis Of Renin Inhibitors Involving A Cycloaddition Reaction Novartis AG (CH) 2011-02-23 EP disclosed
EP-1931629-B1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION NOVARTIS AG (CH) 2010-12-22 EP disclosed
US-20080255369-A1 Synthesis of Renin Inhibitors Involving a Cycloaddition Reaction NOVARTIS AG (CH) 2008-10-16 US disclosed
EP-1931629-A1 SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION Novartis AG (CH) 2008-06-18 EP disclosed
WO-2007039183-A1 SYTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION NOVARTIS AG (CH) 2007-04-12 WO disclosed
US-4097670-A ANTIBIOTICS E. R. SQUIBB & SONS, INC. (US) 1978-06-27 US 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-20080255369-A1 Synthesis of Renin Inhibitors Involving a Cycloaddition Reaction REN, AGTR1, AGTR2 ESR1 2965/4885ESR2 3100/4885SLC6A3 965/4885
US-20110230665-A1 SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION REN, AGTR1, AGTR2 ESR1 2965/4885ESR2 3100/4885SLC6A3 965/4885

“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.