Hydrochloric Acid

Hydrochloric Acid

SCHEMBL15567372

Cl.N#Cc1c(OCC2CCCCN2)cccc1[N+](=O)[O-]

nearest known ligand 0.46

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 5)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 known ✓ P30926 2/20 0.45
▸ CHRNA3 known ✓ P32297 2/20 0.45
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ LTA4H P09960 8/20 0.42

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 SCHEMBL16204995 1.00 CHRNB4 (0.45) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
SCHEMBL15607414 0.99 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
SCHEMBL19034911 0.99 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
SCHEMBL15607333 0.99 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL621423 0.97 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL620612 0.97 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL620611 0.97 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
Trifluoroacetic Acid SCHEMBL16205144 0.90 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
Trifluoroacetic Acid SCHEMBL16205143 0.90 CHRNB4 (0.39) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H
Tert-Butyl Formate SCHEMBL28311303 0.86 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3593648-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2021-07-14 — — EP disclosed
EP-2880031-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2020-06-17 — — EP disclosed
CN-104603132-B Sweet taste modifier 弗门尼舍公司 2020-02-21 — — CN disclosed
US-9745293-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-08-29 — — US disclosed
US-20170183336-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2017-06-29 — — US disclosed
US-9687015-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-06-27 — — US disclosed
US-20160331013-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2016-11-17 — — US disclosed
US-9420814-B2 Sweet flavor modifier SENOMYX, INC. (US) 2016-08-23 — — US disclosed
US-20150374020-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. 2015-12-31 — — US disclosed
US-9138013-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-09-22 — — US disclosed
EP-2880031-A1 SWEET FLAVOR MODIFIER Senomyx, Inc. (US) 2015-06-10 — — EP disclosed
US-20150031684-A1 SWEET FLAVOR MODIFIER SENOMYX, INC 2015-01-29 — — US disclosed
US-8877922-B2 Sweet flavor modifier SENOMYX, INC. (US) 2014-11-04 — — US disclosed
WO-2014025706-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-02-13 — — 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 (4 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-20150374020-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 CHRNB4 3473/4885CHRNA3 3435/4885CHRNB2 4068/4885
US-20150031684-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 CHRNB4 3473/4885CHRNA3 3435/4885CHRNB2 4068/4885
US-20170183336-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 CHRNB4 3578/4885CHRNA3 3456/4885CHRNB2 4157/4885
US-20160331013-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 CHRNB4 3578/4885CHRNA3 3456/4885CHRNB2 4157/4885

“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.

Send feedback