Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5349256

Cc1cc(N2CC[N+](C)(CCO)CC2)ccc1N.[Cl-]

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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
ACHE known ✓ P22303 1/20 0.42
CHRM2 known ✓ P08172 1/20 0.37
CHRM1 known ✓ P11229 1/20 0.37
CHRM3 known ✓ P20309 1/20 0.37
GAA P10253 3/20 0.52
RAD52 P43351 2/20 0.52
BCHE P06276 1/20 0.42
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
THRB P10828 1/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RECQL P46063 1/20 0.36
PTK2B Q14289 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35

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
SCHEMBL6746520 0.99 GAA (0.54) GAARAD52BCHEACHECHRM2
Hydrochloric Acid SCHEMBL5403739 0.95 GAA (0.48) GAARAD52BCHEACHECHRM2
SCHEMBL6746547 0.94 GAA (0.49) GAARAD52BCHEACHECHRM2
Hydrochloric Acid SCHEMBL5346509 0.88 GAA (0.54) GAARAD52THRBMAPTMAPK1
SCHEMBL14559154 0.86 GAA (0.55) GAARAD52THRBMAPTMAPK1
Hydrochloric Acid SCHEMBL5346614 0.85 GAA (0.60) GAARAD52THRBMAPTMAPK1
Hydrochloric Acid SCHEMBL5345795 0.84 GAA (0.53) GAARAD52THRBMAPTMAPK1
Hydrochloric Acid SCHEMBL5365780 0.84 GAA (0.50) GAARAD52BCHEACHECHRM2
Hydrochloric Acid SCHEMBL5397681 0.83 GAA (0.49) GAARAD52THRBMAPTMAPK1
SCHEMBL6745520 0.83 GAA (0.61) GAARAD52THRBMAPTMAPK1

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-7186277-B2 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL SA (FR) 2007-03-06 US claimed
US-20040237216-A1 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL S.A. (FR) 2004-12-02 US claimed
US-7186277-B2 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring L'OREAL SA (FR) 2007-03-06 US 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-20040237216-A1 Composition for dyeing keratin fibres, comprising a cationic para-phenylenediamine derivative substituted with a diazacyclohexane or diazacycloheptane ring KRT18, CDC73, DSP ACHE 1016/4885CHRM2 2617/4885CHRM1 1980/4885

“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.