Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1066112

Cl.N[C@@H]1CCCc2ccc(Cl)cc21

nearest known ligand 0.56

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
ACHE known ✓ P22303 3/20 0.48
HTR2A known ✓ P28223 5/20 0.44
HTR2C known ✓ P28335 5/20 0.44
HTR2B known ✓ P41595 5/20 0.44
ADRB1 known ✓ P08588 1/20 0.44
HTR1A known ✓ P08908 1/20 0.44
ADRA2A known ✓ P08913 1/20 0.44
ADRA2B known ✓ P18089 1/20 0.44
ADRA2C known ✓ P18825 1/20 0.44
SLC6A2 known ✓ P23975 1/20 0.44
SLC6A4 known ✓ P31645 1/20 0.44
HRH1 known ✓ P35367 1/20 0.44
KCNH2 known ✓ Q12809 1/20 0.44
GAA known ✓ P10253 1/20 0.39
MAOA known ✓ P21397 1/20 0.38
MAOB known ✓ P27338 1/20 0.38
KDM1A O60341 4/20 0.46
CNR1 P21554 1/20 0.44
CTSD P07339 1/20 0.42
ALOX12 P18054 2/20 0.40

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 SCHEMBL1002239 1.00 ACHE (0.48) ACHEKDM1AHTR2AHTR2CHTR2B
SCHEMBL1061934 0.98 ACHE (0.49) ACHEKDM1AHTR2AHTR2CHTR2B
SCHEMBL1719705 0.98 ACHE (0.49) ACHEKDM1AHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL1272912 0.89 ACHE (0.48) ACHEKDM1AHTR2AHTR2CHTR2B
SCHEMBL1004804 0.86 HTR2C (0.47) ACHEKDM1AHTR2AHTR2CHTR2B
SCHEMBL7895243 0.86 HTR2C (0.47) ACHEKDM1AHTR2AHTR2CHTR2B
SCHEMBL22652225 0.85 KDM1A (0.45) ACHEKDM1AHTR2AHTR2CHTR2B
SCHEMBL3535473 0.85 KDM1A (0.45) ACHEKDM1AHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL11744676 0.81 ACHE (0.48) ACHECTSDIDO1
SCHEMBL30099795 0.81 ACHE (0.50) ACHEIDO1

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-20130289086-A1 Aminopyrrolidinone Derivatives and Uses Thereof DUGGAN MARK E (US) 2013-10-31 US disclosed
US-8252829-B2 Aminopyrrolidinone derivatives and uses thereof LINK MEDICINE CORPORATION (US) 2012-08-28 US disclosed
EP-2438059-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF Link Medicine Corporation (US) 2012-04-11 EP disclosed
US-20110021590-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2011-01-27 US disclosed
WO-2010141932-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2010-12-09 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 (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-20130289086-A1 Aminopyrrolidinone Derivatives and Uses Thereof PRMT1, PRMT5, AGTR2 ACHE 4029/4885HTR2A 1850/4885HTR2C 1629/4885
US-20110021590-A1 AMINOPYRROLIDINONE DERIVATIVES AND USES THEREOF PRMT1, PRMT5, AGTR2 ACHE 4029/4885HTR2A 1850/4885HTR2C 1629/4885

“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.