SCHEMBL5386929

SCHEMBL5386929

Cc1cc(N)ccc1N1CCC(N)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
ALDH1A1 P00352 4/20 0.58
GAA P10253 3/20 0.58
MEN1 O00255 2/20 0.58
THRB P10828 2/20 0.58
KMT2A Q03164 2/20 0.58
NR4A1 P22736 1/20 0.58
PTK2B Q14289 1/20 0.58
RAD52 P43351 2/20 0.51
GFER P55789 1/20 0.51
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
ALOX15 P16050 1/20 0.46
HRH4 Q9H3N8 7/20 0.41
HRH3 Q9Y5N1 1/20 0.40
AKT1 P31749 2/20 0.39
HTR3A P46098 1/20 0.38
KHK P50053 1/20 0.38
SMPD3 Q9NY59 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
SCHEMBL10126801 0.84 ALDH1A1 (0.58) MAPTALDH1A1GAAMEN1THRB
SCHEMBL3251853 0.83 MAPT (0.57) MAPTALDH1A1GAAMEN1THRB
SCHEMBL17264116 0.81 MAPT (0.69) MAPTALDH1A1GAAMEN1THRB
Hydrochloric Acid SCHEMBL5401575 0.81 MAPT (0.59) MAPTALDH1A1GAAMEN1THRB
SCHEMBL10036271 0.81 MAPT (0.55) MAPTALDH1A1GAAMEN1THRB
Hydrochloric Acid SCHEMBL27584959 0.81 MAPT (0.59) MAPTALDH1A1GAAMEN1THRB
SCHEMBL5403380 0.80 HRH4 (0.47) MAPTALDH1A1GAAMEN1THRB
SCHEMBL5395255 0.80 NR4A1 (0.49) MAPTALDH1A1GAANR4A1HTT
SCHEMBL10036162 0.80 ALDH1A1 (0.54) MAPTALDH1A1GAAMEN1THRB
SCHEMBL24865510 0.80 ALDH1A1 (0.71) MAPTALDH1A1GAAMEN1THRB

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 17 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
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group L'OREAL S.A. (FR) 2003-05-22 US 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
CN-1532193-A Dimethyl-[1-(4-nitrophenyl) pyrrolidine-3-yl] amine �ź㴫 2004-09-29 CN 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 MAPT 840/4885ALDH1A1 446/4885GAA 4652/4885
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group KRT18, CKAP4, KRTCAP2 MAPT 573/4885ALDH1A1 1172/4885GAA 3893/4885

“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.