SCHEMBL260371

SCHEMBL260371

O=Cc1c[nH]c(CN2CCOCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
ERN1 O75460 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
HTR1A P08908 3/20 0.38
CYP2A13 Q16696 3/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
CTSB P07858 1/20 0.37
CXCR4 P61073 1/20 0.37
NCF1 P14598 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 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
SCHEMBL14971450 0.75 HSD17B10 (0.42) CYP2C9ALOX15HSD17B10ALDH1A1KMT2A
SCHEMBL259925 0.73 HRH3 (0.45) ERN1HRH3DRD2DRD4DRD3
SCHEMBL24216523 0.73 HRH3 (0.55) ALDH3A1ALDH1A3HRH3DRD2DRD4
SCHEMBL30409927 0.73 HRH3 (0.55) ALDH3A1ALDH1A3HRH3DRD2DRD4
SCHEMBL207661 0.71 HRH3 (0.65) ALDH3A1ALDH1A3HRH3ALDH1A1MAPK1
SCHEMBL31528286 0.71 NCF1 (0.62) ALDH3A1ALDH1A3ERN1HRH3CYP2A13
SCHEMBL208910 0.71 NCF1 (0.62) ALDH3A1ALDH1A3ERN1HRH3CYP2A13
SCHEMBL261373 0.71 HRH3 (0.42) ERN1HRH3DRD2DRD4DRD3
SCHEMBL3097242 0.69 HSD17B10 (0.50) ALDH3A1ALDH1A3ERN1CYP2A13CYP2C9
SCHEMBL12615263 0.69 CXCR4 (0.49) ALDH3A1ALDH1A3ERN1HRH3CYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101987848-B New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing the same SERVIER LAB 2014-06-18 CN disclosed
US-8653073-B2 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2014-02-18 US disclosed
US-20130331380-A1 DIHYDROINDOLONE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2013-12-12 US disclosed
US-8541412-B2 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2013-09-24 US disclosed
EP-2281822-B1 New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2013-01-16 EP disclosed
US-8133889-B2 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2012-03-13 US disclosed
US-20120046287-A1 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2012-02-23 US disclosed
CN-101987848-A New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB 2011-03-23 CN disclosed
US-20110034460-A1 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-02-10 US disclosed
EP-2281822-A1 New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-02-09 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 (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-20130331380-A1 DIHYDROINDOLONE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CYP11B1, SDHA, CYP11B2 ALDH3A1 758/4885ALDH1A3 2266/4885ERN1 2543/4885
US-20120046287-A1 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them CYP11B1, SDHA, CYP11B2 ALDH3A1 758/4885ALDH1A3 2266/4885ERN1 2543/4885
US-20110034460-A1 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them CYP11B1, SDHA, CYP11B2 ALDH3A1 758/4885ALDH1A3 2266/4885ERN1 2543/4885

“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.