SCHEMBL2927520

SCHEMBL2927520

Cn1cc(CC[N+](C)(C)C)c2c(O)cccc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.65
HTR2C P28335 11/20 0.65
HTR2B P41595 8/20 0.65
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
PTGS2 P35354 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7840850 0.88 HTR2C (0.52) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL2931184 0.84 HTR2C (0.63) HTR2AHTR2CHTR2BGPR84PTGS2
SCHEMBL26965630 0.81 HTR2C (0.68) HTR2AHTR2CHTR2BGPR84PTGS2
SCHEMBL26965705 0.79 HTR2A (0.65) HTR2AHTR2CHTR2BGPR84
SCHEMBL29511842 0.79 HTR2C (1.00) HTR2AHTR2CHTR2B
SCHEMBL26965698 0.79 HTR2C (0.65) HTR2AHTR2CHTR2BGPR84PTGS2
SCHEMBL12558828 0.79 HTR2C (1.00) HTR2AHTR2CHTR2B
Iodide SCHEMBL30823262 0.78 CHRM2 (0.46) HTR2AHTR2CHTR2BCHRM2CHRM1
SCHEMBL20119869 0.78 HTR2C (0.63) HTR2AHTR2CHTR2B
SCHEMBL27542807 0.78 HTR2C (0.67) HTR2AHTR2CHTR2BGPR84PTGS2

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
US-6528650-B2 Mixture containing coupler L'OREAL S.A. (FR) 2003-03-04 US claimed
US-20030019050-A9 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing L'OREAL 2003-01-30 US claimed
US-20020032937-A1 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing L'OREAL 2002-03-21 US claimed
US-6306181-B1 FOR DYEING HUMAN HAIR L'OREAL (FR) 2001-10-23 US claimed
EP-0989128-B1 4-Hydroxyindoles kationic and their use for oxidation dyeing of keratinous fibres OREAL (FR) 2001-03-21 EP claimed
EP-0989128-A1 4-Hydroxyindoles kationic and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2000-03-29 EP claimed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
US-6528650-B2 Mixture containing coupler L'OREAL S.A. (FR) 2003-03-04 US disclosed
US-20030019050-A9 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing L'OREAL 2003-01-30 US disclosed
US-20020032937-A1 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing L'OREAL 2002-03-21 US disclosed
US-6306181-B1 FOR DYEING HUMAN HAIR L'OREAL (FR) 2001-10-23 US disclosed
EP-0989128-B1 4-Hydroxyindoles kationic and their use for oxidation dyeing of keratinous fibres OREAL (FR) 2001-03-21 EP disclosed
EP-0989128-A1 4-Hydroxyindoles kationic and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2000-03-29 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 (2 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-20020032937-A1 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing KRT18, KMO, H1-5 HTR2A 96/4885HTR2C 30/4885HTR2B 99/4885
US-20030019050-A9 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing KRT18, KMO, H1-5 HTR2A 96/4885HTR2C 30/4885HTR2B 99/4885

“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.