SCHEMBL6872057

SCHEMBL6872057

COCCn1ccc2c(F)ccc(F)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.42
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.34
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
F2RL1 P55085 1/20 0.34
GSK3B P49841 2/20 0.33
NFATC1 O95644 1/20 0.33
DYRK1A Q13627 1/20 0.33
P2RX7 Q99572 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL6871183 0.88 GRIN2B (0.45) GRIN2BTP53ALDH1A1HTR2AHTR2C
SCHEMBL6871093 0.88 GRIN2B (0.45) GRIN2BTP53ALDH1A1HTR2AHTR2C
SCHEMBL6871072 0.84 GRIN2B (0.38) GRIN2BTP53ALDH1A1P2RX7MAPT
SCHEMBL2053281 0.82 PDE2A (0.38) GRIN2BTP53MAPT
SCHEMBL6869919 0.78 GRIN2B (0.45) GRIN2BTP53HTR2AHTR2CCNR1
SCHEMBL12543751 0.78 HTR2C (0.55) GRIN2BTP53HTR2AHTR2CCNR1
SCHEMBL12543668 0.76 TP53 (0.39) GRIN2BTP53ALDH1A1HTR2AHTR2C
SCHEMBL6870767 0.75 GRIN2B (0.42) GRIN2BTP53ALDH1A1HTR2AHTR2C
SCHEMBL30833532 0.74 TP53 (0.59) TP53ALDH1A1MAPTRXFP1
SCHEMBL6870576 0.73 GRIN2B (0.44) GRIN2BTP53ALDH1A1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2480232-B1 DISUBSTITUTED ]4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI SA (FR) 2013-10-02 EP disclosed
EP-2480232-B1 DISUBSTITUTED ]4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI SA (FR) 2013-10-02 EP disclosed
US-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES SANOFI (FR) 2012-06-07 US disclosed
US-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES SANOFI (FR) 2012-06-07 US disclosed
US-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES SANOFI (FR) 2012-06-07 US disclosed
WO-2011022449-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI-AVENTIS (FR) 2011-02-24 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 (1 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-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES CMA1, TPSB2, TPSAB1 GRIN2B 2828/4885TP53 4740/4885ALDH1A1 436/4885

“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.