SCHEMBL5406594

SCHEMBL5406594

COc1cc(N2CCC(O)C2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.46
SUV39H2 Q9H5I1 2/20 0.46
AR P10275 1/20 0.46
NTSR1 P30989 5/20 0.45
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
PDE7A Q13946 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 1/20 0.41

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
Hydrochloric Acid SCHEMBL5387731 0.99 DPP4 (0.45) DPP4SUV39H2ARNTSR1CDK1
SCHEMBL311552 0.92 LRRK2 (0.43) DPP4SUV39H2NTSR1PDE7AALDH1A1
SCHEMBL30135513 0.92 LRRK2 (0.43) DPP4SUV39H2NTSR1PDE7AALDH1A1
SCHEMBL310068 0.91 NTSR1 (0.43) DPP4SUV39H2NTSR1CDK1CDK2
SCHEMBL30682434 0.91 NTSR1 (0.43) DPP4SUV39H2NTSR1CDK1CDK2
SCHEMBL3345453 0.91 NTSR1 (0.43) DPP4SUV39H2NTSR1CDK1CDK2
SCHEMBL13380493 0.88 ALDH1A1 (0.46) DPP4PDE7AALDH1A1CYP3A4TSHR
SCHEMBL519205 0.87 SLC6A4 (0.40) DPP4SUV39H2NTSR1PDE7A
SCHEMBL520117 0.87 SLC6A4 (0.40) DPP4SUV39H2NTSR1PDE7A
SCHEMBL519204 0.87 SLC6A4 (0.40) DPP4SUV39H2NTSR1PDE7A

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 35 patents — showing the first 20. 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-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 US disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 US disclosed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 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 (3 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 DPP4 1598/4885SUV39H2 2713/4885AR 2656/4885
US-20030093866-A1 Dyeing compositions for keratinous fibres containing paraphenylenediamine derivatives with pyrrolidinyl group KRT18, CKAP4, KRTCAP2 DPP4 2544/4885SUV39H2 1220/4885AR 3268/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS DPP4 904/4885SUV39H2 2765/4885AR 4071/4885

“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.