Hydrochloric Acid

Hydrochloric Acid

SCHEMBL382604

COc1cc(OC2CCNCC2)ccc1[N+](=O)[O-].Cl

nearest known ligand 0.44

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
ACVR1 known ✓ Q04771 1/20 0.42
KCNH2 known ✓ Q12809 1/20 0.42
ROCK1 known ✓ Q13464 4/20 0.41
ROCK2 known ✓ O75116 1/20 0.41
PRKCD known ✓ Q05655 1/20 0.41
HRH1 known ✓ P35367 2/20 0.41
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
ACVR1B P36896 1/20 0.42
TGFBR1 P36897 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
PRKACA P17612 1/20 0.41
PRKG1 Q13976 1/20 0.41
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41
Q6ZSR9 Q6ZSR9 1/20 0.41
BMP2K Q9NSY1 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41

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 SCHEMBL29379635 1.00 ALDH1A1 (0.44) ALDH1A1LMNAACVR1BTGFBR1ACVR1
SCHEMBL521437 0.99 ALDH1A1 (0.45) ALDH1A1LMNAACVR1BTGFBR1ACVR1
SCHEMBL29851268 0.99 ALDH1A1 (0.45) ALDH1A1LMNAACVR1BTGFBR1ACVR1
SCHEMBL26087309 0.87 ALDH1A1 (0.51) ALDH1A1LMNASIRT6MAPTTDP1
SCHEMBL224959 0.84 ALDH1A1 (0.46) ALDH1A1LMNASIRT6MAPTTDP1
Hydrochloric Acid SCHEMBL9014064 0.84 MAPT (0.45) ALDH1A1LMNAROCK1ROCK2PRKACA
SCHEMBL25725927 0.83 ALDH1A1 (0.43) ALDH1A1LMNAROCK1ROCK2PRKACA
SCHEMBL375364 0.82 SIRT6 (0.57) ALDH1A1LMNATGFBR1ACVR1SIRT6
SCHEMBL29446151 0.82 SIRT6 (0.57) ALDH1A1LMNATGFBR1ACVR1SIRT6
Hydrochloric Acid SCHEMBL29847893 0.82 ATM (0.44) ALDH1A1LMNAROCK1ROCK2PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12172980-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XWPharma Ltd. (KY) 2024-12-24 US disclosed
EP-3856719-B1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPHARMA LTD (KY) 2023-06-07 EP disclosed
US-20220380339-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2022-12-01 US disclosed
US-11420955-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XWPharma Ltd. (KY) 2022-08-23 US disclosed
CN-114042070-A Compounds as neuronal histamine receptor-3 antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2022-02-15 CN disclosed
CN-112004802-B Compounds as neuronal histamine receptor-3 antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2021-12-28 CN disclosed
US-20210188808-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2021-06-24 US disclosed
US-10968202-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XW LABORATORIES INC. (KY) 2021-04-06 US disclosed
CN-112004802-A Compounds as neuronal histamine receptor-3 antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2020-11-27 CN disclosed
US-20200369645-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2020-11-26 US disclosed
US-10730853-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XW LABORATORIES INC. (KY) 2020-08-04 US disclosed
US-20200181112-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2020-06-11 US disclosed
US-10618886-B1 Compounds as neuronal histamine receptor-3 antagonists and uses thereof XW LABORATORIES INC. (KY) 2020-04-14 US disclosed
US-20200102289-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2020-04-02 US disclosed
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 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 (11 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-20200102289-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 ACVR1 4222/4885KCNH2 499/4885ROCK1 2407/4885
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO ACVR1 4373/4885KCNH2 969/4885ROCK1 1969/4885
US-20220380339-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 ACVR1 4026/4885KCNH2 763/4885ROCK1 1846/4885
US-20200181112-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 ACVR1 4222/4885KCNH2 499/4885ROCK1 2407/4885
US-10618886-B1 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 ACVR1 4222/4885KCNH2 499/4885ROCK1 2407/4885
US-12172980-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 ACVR1 4222/4885KCNH2 499/4885ROCK1 2407/4885
US-10968202-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 ACVR1 4222/4885KCNH2 499/4885ROCK1 2407/4885
US-20200369645-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 ACVR1 4222/4885KCNH2 499/4885ROCK1 2407/4885
US-20210188808-A1 COMPOUNDS AS NEURONAL HISTAMINE RECEPTOR-3 ANTAGONISTS AND USES THEREOF HRH3, HRH4, HRH2 ACVR1 4222/4885KCNH2 499/4885ROCK1 2407/4885
US-11420955-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 ACVR1 4222/4885KCNH2 499/4885ROCK1 2407/4885
US-10730853-B2 Compounds as neuronal histamine receptor-3 antagonists and uses thereof HRH3, HRH4, HRH2 ACVR1 4222/4885KCNH2 499/4885ROCK1 2407/4885

“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.