Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2514818

CCOC(=O)c1ccc(N2CCC(NN)CC2)cc1.Cl

nearest known ligand 0.50

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
MAOA known ✓ P21397 1/20 0.50
GAA known ✓ P10253 1/20 0.47
HSP90AA1 known ✓ P07900 1/20 0.47
CACNA1B known ✓ Q00975 1/20 0.47
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 5/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
APBA1 Q02410 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FDFT1 P37268 1/20 0.46
MAPK1 P28482 1/20 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
Hydrochloric Acid SCHEMBL6139554 0.85 HPGD (0.52) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL378108 0.85 MEN1 (0.50) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL378149 0.84 HPGD (0.54) MEN1KMT2ALMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6139722 0.83 HTT (0.50) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL3457437 0.82 HPGD (0.55) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL378276 0.82 TDP1 (0.60) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL22015905 0.82 HPGD (0.65) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL20188098 0.82 HPGD (0.65) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL23582930 0.82 HTT (0.55) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL5208784 0.82 HTT (0.51) MEN1KMT2ALMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245223-A1 HETEROCYCLIC COMPOUNDS JAPAN TOBACCO INC. (JP) 2011-10-06 US disclosed
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND JAPAN TOBACCO INC. (JP) 2010-01-14 US disclosed
EP-2103603-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND Japan Tobacco Inc. (JP) 2009-09-23 EP disclosed
EP-1889842-A1 HETEROCYCLIC COMPOUND Japan Tobacco, Inc. (JP) 2008-02-20 EP disclosed
US-20070072908-A1 Heterocyclic compounds JAPAN TOBACCO INC. (JP) 2007-03-29 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 (3 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-20110245223-A1 HETEROCYCLIC COMPOUNDS HSD11B1, HSD11B2, CYP11B1 MAOA 2918/4885GAA 4235/4885HSP90AA1 467/4885
US-20070072908-A1 Heterocyclic compounds HSD11B1, HSD11B2, CYP11B1 MAOA 2918/4885GAA 4235/4885HSP90AA1 467/4885
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND HSD11B1, HSD11B2, HSD17B11 MAOA 1792/4885GAA 2732/4885HSP90AA1 893/4885

“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.