SCHEMBL6872107

SCHEMBL6872107

COCCn1ccc2c(F)ccc(OC(F)(F)F)c21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.38
GRIN2B Q13224 1/20 0.36
SCN9A Q15858 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.33
MKNK2 Q9HBH9 1/20 0.32
F2RL1 P55085 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
KCNN4 O15554 1/20 0.31
ADRB2 P07550 1/20 0.31
MAP3K12 Q12852 1/20 0.31
CTSS P25774 1/20 0.30

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
SCHEMBL2053281 0.89 PDE2A (0.38) PDE2AGRIN2BSCN9ATP53MAPT
SCHEMBL6872010 0.85 SCN9A (0.35) PDE2ASCN9ATP53MAPTMKNK2
SCHEMBL6872057 0.82 GRIN2B (0.42) GRIN2BTP53MAPTF2RL1
SCHEMBL6869734 0.80 CASR (0.35) PDE2ASCN9ATP53MAPTMKNK2
SCHEMBL6871093 0.78 GRIN2B (0.45) GRIN2BTP53F2RL1
SCHEMBL6870210 0.76 GRM2 (0.38) PDE2AMAPTF2RL1
SCHEMBL12543430 0.76 SCN9A (0.38) SCN9ATP53MAPTMKNK2KDM4E
SCHEMBL27816857 0.75 PDE2A (0.33) PDE2AGRIN2BSCN9AKDM4ETDP1
SCHEMBL6871072 0.74 GRIN2B (0.38) GRIN2BTP53MAPTKDM4ECTSS
SCHEMBL6871205 0.74 ICMT (0.35) PDE2AGRIN2BMAPTKDM4E

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 PDE2A 369/4885GRIN2B 2828/4885SCN9A 1716/4885

“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.