Hydrochloric Acid

Hydrochloric Acid

SCHEMBL652898

COc1cncc(N2C[C@H]3CNC[C@H]3C2)c1.Cl.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 8/20 0.71
CHRNA3 known ✓ P32297 8/20 0.71
CHRNA7 known ✓ P36544 1/20 0.56
CHRNB2 P17787 13/20 0.73
CHRNA4 P43681 13/20 0.73

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 SCHEMBL652899 1.00 CHRNB2 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL649807 0.98 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL649809 0.98 CHRNB2 (0.72) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL650002 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL650001 0.85 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5371326 0.84 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL23199731 0.83 CHRNB2 (0.66) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL649885 0.83 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL2327464 0.83 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2878569 0.83 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115667221-A Substituted fused oxazines as insect repellent compounds 拜耳动物保健有限责任公司 2023-01-31 CN disclosed
CN-114180851-A Method for forming stable micro-nano liquid/liquid interface through silanization of inner wall of tip of glass tube 中山大学 2022-03-15 CN disclosed
WO-2021211713-A1 TREATMENT OF CHARCOT-MARIE-TOOTH AXONAL TYPE 2D USING NT-3 GENE THERAPY RESEARCH INSTITUTE AT NATIONWIDE CHILDREN'S HOSPITAL (US) 2021-10-21 WO disclosed
CN-111337609-A Human serum determination method for simultaneously determining multiple neurotransmitters based on LC-MC 上海中科新生命生物科技有限公司 2020-06-26 CN disclosed
WO-2014209229-A1 VASODILATION PEPTIDES AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-12-31 WO disclosed
CN-1826344-B (1S, 5S)-3-(5, 6-dichloro-3-pyridinyl)-3, 6-diazabicyclo[3.2.0]heptane is an effective analgesic agent ABBOTT LAB 2013-03-06 CN disclosed
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US disclosed
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed
US-20020058646-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission ABBVIE INC. 2002-05-16 US disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US disclosed
EP-1178982-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2002-02-13 EP disclosed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 WO disclosed
US-20010034357-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission ABBOTT LABORATORIES 2001-10-25 US disclosed
EP-1147112-A1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2001-10-24 EP disclosed
WO-2001056991-A1 SUBSTITUTED PYRIDINE COMPOUNDS USEFUL FOR CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed
WO-2000071534-A1 HETEROCYCLIC SUBSTITUTED AMINOAZACYCLES USEFUL AS CENTRAL NERVOUS SYSTEM AGENTS ABBOTT LABORATORIES (US) 2000-11-30 WO disclosed
WO-2000044755-A1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2000-08-03 WO disclosed
WO-1999030730-A1 METHODS AND COMPOSITIONS FOR IMPROVING THE SUCCESS OF CELL TRANSPLANTATION IN A HOST UNIVERSITE LAVAL (CA) 1999-06-24 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-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB4 15/4885CHRNA3 14/4885CHRNA7 5/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB4 15/4885CHRNA3 14/4885CHRNA7 6/4885
US-20020058646-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission SLC18A2, SLC18A3, CHRNA4 CHRNB4 8/4885CHRNA3 9/4885CHRNA7 18/4885
US-20010034357-A1 Substituted pyridine compounds useful for controlling chemical synaptic transmission SLC18A2, SLC18A3, CHRNA4 CHRNB4 8/4885CHRNA3 9/4885CHRNA7 18/4885

“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.