Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17274264

Brc1ccc(C(OC2CNC2)c2ccccc2)cc1.Cl

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 20)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 3/20 0.44
ADRA2A known ✓ P08913 3/20 0.44
CHRM1 known ✓ P11229 3/20 0.44
DRD1 known ✓ P21728 3/20 0.44
SLC6A2 known ✓ P23975 3/20 0.44
OPRM1 known ✓ P35372 3/20 0.44
DRD3 known ✓ P35462 3/20 0.44
SLC6A3 known ✓ Q01959 3/20 0.44
ADRA1A known ✓ P35348 2/20 0.44
KCNH2 known ✓ Q12809 2/20 0.44
HTR1A known ✓ P08908 2/20 0.44
HRH3 known ✓ Q9Y5N1 1/20 0.44
SLC6A4 known ✓ P31645 4/20 0.43
HTR6 known ✓ P50406 2/20 0.43
CHRM4 known ✓ P08173 1/20 0.43
CHRM5 known ✓ P08912 1/20 0.43
DRD2 known ✓ P14416 1/20 0.43
ADRA2B known ✓ P18089 1/20 0.43
ADRA2C known ✓ P18825 1/20 0.43
CHRM3 known ✓ P20309 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
SCHEMBL17279134 0.98 NAAA (0.58) NAAAMAPK1CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL4084881 0.93 NAAA (0.48) NAAAMAPK1CHRM2ADRA2ACHRM1
SCHEMBL11403533 0.88 DRD3 (0.53) NAAAMAPK1CHRM2ADRA2ACHRM1
Hydrochloric Acid SCHEMBL4186901 0.76 DRD3 (0.53) SLC6A2DRD3SLC6A3CYP2D6SLC6A4
SCHEMBL4078340 0.75 NAAA (0.66) NAAAMAPK1CHRM2ADRA2ACHRM1
SCHEMBL17274359 0.75 NAAA (0.66) NAAAMAPK1CHRM2ADRA2ACHRM1
SCHEMBL12064699 0.75 DRD3 (0.51) MAPK1CHRM2ADRA2ACHRM1DRD1
SCHEMBL12064698 0.75 DRD3 (0.51) MAPK1CHRM2ADRA2ACHRM1DRD1
SCHEMBL12064952 0.75 DRD3 (0.51) MAPK1CHRM2ADRA2ACHRM1DRD1
SCHEMBL4084972 0.74 SLC6A3 (0.54) SLC6A2DRD3SLC6A3CYP2D6SLC6A4

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
US-10640494-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2020-05-05 US disclosed
US-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2018-08-09 US disclosed
US-9963444-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NORTHEASTERN UNIVERSITY (US) 2018-05-08 US disclosed
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NORTHEASTERN UNIVERSITY 2017-04-27 US disclosed
EP-3145505-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND THEIR USE THEREOF Northeastern University (US) 2017-03-29 EP disclosed
WO-2015179190-A1 N-ACYLETHANOLAMINE HYDROLYZING ACID AMIDASE (NAAA) INHIBITORS AND THEIR USE THEREOF NORTHEASTERN UNIVERSITY (US) 2015-11-26 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 (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-20180222894-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NAAA, NAT1, NAALAD2 CHRM2 3276/4885ADRA2A 2171/4885CHRM1 2357/4885
US-10640494-B2 N-acylethanolamine hydrolyzing acid amidase (NAAA) inhibitors and their use thereof NAAA, NAT1, NAALAD2 CHRM2 3276/4885ADRA2A 2171/4885CHRM1 2357/4885
US-20170114050-A1 N-Acylethanolamine Hydrolyzing Acid Amidase (NAAA) Inhibitors And Their Use Thereof NAAA, NAT1, NIT2 CHRM2 3338/4885ADRA2A 2285/4885CHRM1 2534/4885

“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.