Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4893588

CC#CC(C)Oc1cc(N)c(Cl)cc1C(=O)NC1C2CCC1CN(C)C2.Cl

nearest known ligand 0.52

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
ADRA2A known ✓ P08913 1/20 0.49
ADRA2B known ✓ P18089 1/20 0.49
ADRA2C known ✓ P18825 1/20 0.49
HTR2A known ✓ P28223 1/20 0.49
HTR2C known ✓ P28335 1/20 0.49
HTR2B known ✓ P41595 1/20 0.49
HTR3A known ✓ P46098 6/20 0.48
HTR4 known ✓ Q13639 1/20 0.46
HTR3E known ✓ A5X5Y0 2/20 0.46
HTR3B known ✓ O95264 2/20 0.46
HTR3D known ✓ Q70Z44 2/20 0.46
HTR3C known ✓ Q8WXA8 2/20 0.46
HTR5A known ✓ P47898 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.43

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 SCHEMBL4893581 1.00 ADRA2A (0.49) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4885112 0.99 ADRA2A (0.50) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4885122 0.99 ADRA2A (0.50) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL4893665 0.96 ADRA2A (0.51) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL4893677 0.96 ADRA2A (0.51) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4894656 0.95 ADRA2A (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4894649 0.95 ADRA2A (0.52) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL4895680 0.94 ADRA2A (0.48) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL4888726 0.93 ADRA2A (0.49) ADRA2AADRA2BADRA2CHTR2AHTR2C
Hydrochloric Acid SCHEMBL4896121 0.92 ADRA2A (0.48) ADRA2AADRA2BADRA2CHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070944-A1 Novel methods using aminobenzoic acid compounds EISAI CO., LTD. (JP) 2008-03-20 US disclosed
US-20070015789-A1 Novel methods using aminobenzoic acid compounds EISAI CO., LTD. (JP) 2007-01-18 US disclosed
US-5658925-A EXHIBITS SEROTONIN ANTAGONISM AND AN ACETYLCHOLINE RELEASE ACCELERATING ACTIVITY EISAI CO., LTD. (JP) 1997-08-19 US disclosed
EP-0645391-A2 Aminobenzoic acid derivatives Eisai Co., Ltd. (JP) 1995-03-29 EP 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-20070015789-A1 Novel methods using aminobenzoic acid compounds GRIN2B, HTR5A, AADAT ADRA2A 2929/4885ADRA2B 913/4885ADRA2C 3207/4885
US-20080070944-A1 Novel methods using aminobenzoic acid compounds GRIN2B, HTR5A, AADAT ADRA2A 2929/4885ADRA2B 913/4885ADRA2C 3207/4885

“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.