SCHEMBL5395255

SCHEMBL5395255

COc1cc(N)ccc1N1CCC(N)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.49
ADRA1D P25100 2/20 0.46
ADRA1B P35368 2/20 0.46
ADRA1A P35348 1/20 0.46
SMPD3 Q9NY59 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 3/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SUV39H2 Q9H5I1 6/20 0.39
ACACB O00763 1/20 0.39
ALDH1A3 P47895 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
NTRK1 P04629 1/20 0.38
MAP4K1 Q92918 1/20 0.38

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
SCHEMBL16440147 0.85 SMPD3 (0.47) ADRA1DADRA1BADRA1ASMPD3ALDH1A1
SCHEMBL15540924 0.85 NR4A1 (0.51) NR4A1ALDH1A1HTTMAPTKDM4E
SCHEMBL27584940 0.85 GAA (0.43) ADRA1DADRA1BADRA1AALDH1A1HTT
SCHEMBL27948471 0.84 NR4A1 (0.48) NR4A1ALDH1A1HTTMAPTKDM4E
SCHEMBL15650970 0.84 NR4A1 (0.48) NR4A1SMPD3ALDH1A1HTTMAPT
SCHEMBL1930423 0.84 NR4A1 (0.48) NR4A1SMPD3ALDH1A1HTTMAPT
SCHEMBL1930421 0.84 NR4A1 (0.48) NR4A1SMPD3ALDH1A1HTTMAPT
SCHEMBL17265438 0.83 NR4A1 (0.53) NR4A1ALDH1A1HTTMAPTKDM4E
SCHEMBL29989590 0.82 ALDH1A1 (0.65) NR4A1ALDH1A1HTTMAPTKDM4E
SCHEMBL16437252 0.82 SMPD3 (0.42) ADRA1DADRA1BADRA1ASMPD3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179301-B2 Dyeing compositions for keratinous fibers containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2007-02-20 US claimed
US-7070629-B2 Dye composition comprising at least one diaminopyrazole oxidation base, at least one paraphenylenediamine oxidation base comprising a cyclic amino group, and at least one coupler L'OREAL, S.A. (FR) 2006-07-04 US claimed
US-20040231066-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base, a paraphenylenediamine-type oxidation base with cyclic amino group and a coupling agent L'OREAL S.A. (FR) 2004-11-25 US claimed
EP-1432389-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2004-06-30 EP claimed
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2003-05-22 US claimed
WO-2003028689-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2003-04-10 WO claimed
CN-1372459-A Dyeing composition for keratinous fibres comprising a p-phenylenediamine derivative having a pyrrolidinyl group OREAL (FR) 2002-10-02 CN claimed
EP-1200052-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2002-05-02 EP claimed
WO-2001068043-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2001-09-20 WO claimed
US-7179301-B2 Dyeing compositions for keratinous fibers containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2007-02-20 US disclosed
US-7070629-B2 Dye composition comprising at least one diaminopyrazole oxidation base, at least one paraphenylenediamine oxidation base comprising a cyclic amino group, and at least one coupler L'OREAL, S.A. (FR) 2006-07-04 US disclosed
US-20040231066-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base, a paraphenylenediamine-type oxidation base with cyclic amino group and a coupling agent L'OREAL S.A. (FR) 2004-11-25 US disclosed
EP-1432389-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2004-06-30 EP disclosed
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2003-05-22 US disclosed
WO-2003028689-A1 DYEING COMPOSITION COMPRISING A DIAMINOPYRAZOLE-TYPE OXIDATION BASE, A PARAPHENYLENEDIAMINE-TYPE OXIDATION BASE WITH CYCLIC AMINO GROUP AND A COUPLING AGENT L'OREAL (FR) 2003-04-10 WO disclosed
CN-1372459-A Dyeing composition for keratinous fibres comprising a p-phenylenediamine derivative having a pyrrolidinyl group OREAL (FR) 2002-10-02 CN disclosed
EP-1200052-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2002-05-02 EP disclosed
WO-2001068043-A2 DYEING COMPOSITIONS FOR KERATINOUS FIBRES CONTAINING PARAPHENYLENEDIAMINE DERIVATIVES WITH PYRROLIDINYL GROUP L'OREAL (FR) 2001-09-20 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 (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-20040231066-A1 Dyeing composition comprising a diaminopyrazole-type oxidation base, a paraphenylenediamine-type oxidation base with cyclic amino group and a coupling agent KRT18, AOC1, DPYD NR4A1 3715/4885ADRA1D 3552/4885ADRA1B 3742/4885
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group KRT18, CKAP4, KRTCAP2 NR4A1 4271/4885ADRA1D 4661/4885ADRA1B 4755/4885

“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.