Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3134497

CN1CC[C@H]2Cc3ccncc3[C@H]21.Cl.Cl

nearest known ligand 0.74

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
CHRNA7 known ✓ P36544 2/20 0.37
CHRNB4 known ✓ P30926 2/20 0.37
CHRNA3 known ✓ P32297 2/20 0.37
HTR3E known ✓ A5X5Y0 1/20 0.37
HTR3B known ✓ O95264 1/20 0.37
CHRNA1 known ✓ P02708 1/20 0.37
CHRNG known ✓ P07510 1/20 0.37
CHRNB1 known ✓ P11230 1/20 0.37
PTGS1 known ✓ P23219 1/20 0.37
HTR3A known ✓ P46098 1/20 0.37
CHRNE known ✓ Q04844 1/20 0.37
CHRND known ✓ Q07001 1/20 0.37
HTR3D known ✓ Q70Z44 1/20 0.37
HTR3C known ✓ Q8WXA8 1/20 0.37
ACHE known ✓ P22303 1/20 0.37
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CHRNA2 Q15822 2/20 0.37
LMNA P02545 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
Hydrochloric Acid SCHEMBL52345 1.00 CHRNB2 (0.37) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNB4
SCHEMBL3819190 0.98 CHRNB2 (0.38) CHRNB2CHRNA4ALDH1A1CHRNA7CHRNB4
SCHEMBL7246721 0.85 ACHE (0.43) CHRNB2CHRNA4CHRNA7ACHE
SCHEMBL29422947 0.85 ACHE (0.43) CHRNB2CHRNA4CHRNA7ACHE
SCHEMBL7246720 0.85 ACHE (0.43) CHRNB2CHRNA4CHRNA7ACHE
SCHEMBL7246724 0.85 ACHE (0.43) CHRNB2CHRNA4CHRNA7ACHE
SCHEMBL7240765 0.76 ACHE (0.46) ACHE
SCHEMBL7240759 0.76 ACHE (0.46) ACHE
SCHEMBL7240762 0.76 ACHE (0.46) ACHE
SCHEMBL7346460 0.76 ACHE (0.48) CHRNB2CHRNA4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076011-A1 Enantiomer-Pure Hexahydro-Pyrrolocyclopenta-Pyridine Derivatives BINDER, EVA (AT) 2010-03-25 US claimed
EP-1740585-B1 ENANTIOMER-PURE HEXAHYDROPYRROLOCYCLOPENTAPYRIDINE DERIVATIVES BINDER EVA (AT) 2009-08-19 EP claimed
EP-1740585-B1 ENANTIOMER-PURE HEXAHYDROPYRROLOCYCLOPENTAPYRIDINE DERIVATIVES BINDER EVA (AT) 2009-08-19 EP 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 (1 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-20100076011-A1 Enantiomer-Pure Hexahydro-Pyrrolocyclopenta-Pyridine Derivatives FFAR3, FFAR2, FFAR1 CHRNA7 289/4885CHRNB4 575/4885CHRNA3 295/4885

“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.