SCHEMBL2272222

SCHEMBL2272222

CCCCCCC[N+](C)(C)C1CCN(c2ccc(N)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.43
DPP4 P27487 9/20 0.40
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.39
GFER P55789 2/20 0.39
RAD52 P43351 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SPHK2 Q9NRA0 7/20 0.36
SPHK1 Q9NYA1 7/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRA2C P18825 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL2265915 1.00 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2266681 1.00 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2268631 1.00 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2267999 1.00 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2269575 1.00 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2540978 0.99 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2537383 0.99 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL6401114 0.99 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL7141929 0.99 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2540172 0.99 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US claimed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US claimed
EP-2182914-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'Oreal (FR) 2010-05-12 EP claimed
EP-2175830-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'Oreal (FR) 2010-04-21 EP claimed
WO-2009019383-A2 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL (FR) 2009-02-12 WO claimed
WO-2009016061-A2 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL (FR) 2009-02-05 WO claimed
EP-1428515-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a surfactant; methods and uses OREAL (FR) 2008-07-02 EP claimed
EP-1428514-B1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use OREAL (FR) 2007-09-19 EP claimed
EP-1559412-A1 Keratinous fibre-dyeing composition containing an alcohol oxydase and a cationic oxidation base L'OREAL (FR) 2005-08-03 EP claimed
US-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses L'OREAL (FR) 2004-11-11 US claimed
EP-1428505-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a cationic direct dye containing a heterocyclic group ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428516-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a polyol ester; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428515-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a surfactant; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428507-A1 Dyeing composition containing a tertiary cationic paraphenylendiamine and an organic diacid, process and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428514-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, a tertiary paraphenylenediamine and a benzomorpholine coupler; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428509-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a polyol; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428513-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a opacifying or pearlescent agent; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428517-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a vitamine derivative; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428508-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a monosaccharide or disaccharide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-1428512-A1 Dyeing composition containing a tertiary cationic paraphenylendiamine and a paraaminophenol, process and use L'OREAL (FR) 2004-06-16 EP claimed

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-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses KRT18, DPM1, DSG1 GRM2 4098/4885DPP4 344/4885KDM4E 3092/4885
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN GRM2 4788/4885DPP4 4830/4885KDM4E 318/4885

“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.