Hydrochloric Acid

Hydrochloric Acid

SCHEMBL223449

Cl.NCC(F)(F)c1cccc(F)c1

nearest known ligand 0.47

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 10)

geneUniProtsupporting neighboursconfidence
HTR2A known ✓ P28223 1/20 0.39
HTR2C known ✓ P28335 1/20 0.39
HTR2B known ✓ P41595 1/20 0.39
MAOB known ✓ P27338 1/20 0.38
KIF11 P52732 1/20 0.47
KCNN4 O15554 4/20 0.47
TAAR1 Q96RJ0 4/20 0.42
IDO1 P14902 3/20 0.40
AGXT P21549 2/20 0.40
PTPN1 P18031 1/20 0.37

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
SCHEMBL3148159 0.98 KIF11 (0.49) KIF11KCNN4TAAR1IDO1AGXT
Hydrochloric Acid SCHEMBL3917461 0.82 TAAR1 (0.53) KIF11TAAR1IDO1HTR2AHTR2C
SCHEMBL8233131 0.79 TAAR1 (0.55) KIF11TAAR1IDO1HTR2AHTR2C
Hydrochloric Acid SCHEMBL3886496 0.78 KIF11 (0.47) KIF11TAAR1IDO1AGXTHTR2A
SCHEMBL3038006 0.78 KCNN4 (0.44) KIF11KCNN4TAAR1IDO1AGXT
SCHEMBL7903555 0.78 KCNN4 (0.44) KIF11KCNN4TAAR1PTPN1
Hydrochloric Acid SCHEMBL28030628 0.76 TSHR (0.54) KCNN4TAAR1IDO1MAOB
Hydrochloric Acid SCHEMBL9280100 0.76 TAAR1 (0.50) KIF11KCNN4TAAR1PTPN1
SCHEMBL3886392 0.76 KIF11 (0.49) KIF11TAAR1IDO1AGXT
SCHEMBL29112294 0.76 KIF11 (0.49) KIF11TAAR1IDO1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126848-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS Takeda Pharmaceutical Company Limited (JP) 2023-02-08 EP disclosed
WO-2021202781-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-07 WO disclosed
US-9758507-B2 Chiral synthesis of pyrrolidine core compounds en route to neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-09-12 US disclosed
US-20160096821-A1 Chiral Synthesis of Pyrrolidine Core Compounds en route to Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-04-07 US disclosed
US-9212161-B2 Chiral synthesis of pyrrolidine core compounds en route to neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2015-12-15 US disclosed
US-20140228578-A1 Chiral Synthesis of Pyrrolidine Core Compounds en route to Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2014-08-14 US disclosed
US-8697879-B2 Chiral synthesis of pyrrolidine core compounds en route to neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2014-04-15 US disclosed
US-20120004415-A1 Chiral Synthesis of Pyrrolidine Core Compounds en route to Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2012-01-05 US disclosed
WO-2012003427-A2 CHIRAL SYNTHESIS OF PYRROLIDINE CORE COMPOUNDS EN ROUTE TO NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2012-01-05 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-20160096821-A1 Chiral Synthesis of Pyrrolidine Core Compounds en route to Neuronal Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 HTR2A 1233/4885HTR2C 1110/4885HTR2B 758/4885
US-20140228578-A1 Chiral Synthesis of Pyrrolidine Core Compounds en route to Neuronal Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 HTR2A 1233/4885HTR2C 1110/4885HTR2B 758/4885
US-20120004415-A1 Chiral Synthesis of Pyrrolidine Core Compounds en route to Neuronal Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 HTR2A 1233/4885HTR2C 1110/4885HTR2B 758/4885

“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.