Hydrochloric Acid

Hydrochloric Acid

SCHEMBL21243829

COC(=O)c1cccc([C@H](N)CO)c1.Cl

nearest known ligand 0.53

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
CASR known ✓ P41180 1/20 0.45
GRIN2D known ✓ O15399 1/20 0.44
GRIN3B known ✓ O60391 1/20 0.44
GRIN1 known ✓ Q05586 1/20 0.44
GRIN2A known ✓ Q12879 1/20 0.44
GRIN2B known ✓ Q13224 1/20 0.44
GRIN2C known ✓ Q14957 1/20 0.44
GRIN3A known ✓ Q8TCU5 1/20 0.44
DPP4 known ✓ P27487 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.53
SLC7A5 Q01650 1/20 0.52
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
ANPEP P15144 1/20 0.49
ENPEP Q07075 1/20 0.49
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44

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 SCHEMBL30116145 1.00 LOXL2 (0.53) LOXL2SLC7A5CYP4F2CYP4A11ANPEP
Hydrochloric Acid SCHEMBL21243830 1.00 LOXL2 (0.53) LOXL2SLC7A5CYP4F2CYP4A11ANPEP
SCHEMBL28523575 0.98 LOXL2 (0.54) LOXL2SLC7A5CYP4F2CYP4A11ANPEP
SCHEMBL6340138 0.98 LOXL2 (0.54) LOXL2SLC7A5CYP4F2CYP4A11ANPEP
SCHEMBL15671512 0.86 LOXL2 (0.58) LOXL2SLC7A5CYP4F2CYP4A11ANPEP
SCHEMBL6934024 0.86 LOXL2 (0.54) LOXL2SLC7A5CYP4F2CYP4A11ANPEP
SCHEMBL14231684 0.86 LOXL2 (0.54) LOXL2SLC7A5CYP4F2CYP4A11ANPEP
SCHEMBL10277654 0.86 LOXL2 (0.54) LOXL2SLC7A5CYP4F2CYP4A11ANPEP
SCHEMBL21436044 0.84 LOXL2 (0.51) LOXL2SLC7A5CYP4F2CYP4A11ANPEP
SCHEMBL31226962 0.84 LOXL2 (0.51) LOXL2SLC7A5CYP4F2CYP4A11ANPEP

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
EP-3532479-B1 AMIDE COMPOUNDS AS KINASE INHIBITORS TRANSLATIONAL DRUG DEV LLC (US) 2023-06-07 EP disclosed
US-20230143583-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT TRANSLATIONAL DRUG DEVELOPMENT, LLC 2023-05-11 US disclosed
US-11555039-B2 Amide compounds as kinase inhibitors, compositions and methods of treatment TRANSLATIONAL DRUG DEVELOPMENT LLC (US) 2023-01-17 US disclosed
US-20210047335-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT TRANSLATIONAL DRUG DEVELOPMENT LLC 2021-02-18 US disclosed
US-10738007-B2 Amide compounds as kinase inhibitors, compositions and methods of treatment Translation Drug Development, LLC (US) 2020-08-11 US disclosed
US-20190248744-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT TRANSLATIONAL DRUG DEVELOPMENT, LLC 2019-08-15 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 (5 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-20230143583-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT ROCK1, ROCK2, ARHGDIB CASR 4874/4885GRIN2D 1731/4885GRIN3B 1033/4885
US-20190248744-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT ARHGDIB, ROCK2, ROCK1 CASR 4866/4885GRIN2D 1699/4885GRIN3B 1066/4885
US-20210047335-A1 AMIDE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS AND METHODS OF TREATMENT ROCK1, ROCK2, ARHGDIB CASR 4874/4885GRIN2D 1731/4885GRIN3B 1033/4885
US-11555039-B2 Amide compounds as kinase inhibitors, compositions and methods of treatment ROCK1, ROCK2, ARHGDIB CASR 4874/4885GRIN2D 1731/4885GRIN3B 1033/4885
US-10738007-B2 Amide compounds as kinase inhibitors, compositions and methods of treatment ARHGDIB, ROCK2, ROCK1 CASR 4866/4885GRIN2D 1699/4885GRIN3B 1066/4885

“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.