SCHEMBL1274766

SCHEMBL1274766

COC(=O)c1c[nH]c2c(F)ccc(OC(F)(F)F)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 10/20 0.41
▸ EPHX2 P34913 1/20 0.39
▸ CREBBP Q92793 1/20 0.38
▸ PDE2A O00408 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.35
▸ KCNN4 O15554 2/20 0.35
▸ ALPL P05186 1/20 0.34

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
SCHEMBL6873324 0.85 IDO1 (0.40) EPHX2PDE2AIDO1TDO2
SCHEMBL6871164 0.84 MAPK1 (0.39) EPHX2PDE2AIDO1TDO2
SCHEMBL16597349 0.83 NR4A2 (0.49) NR4A2CREBBPJAK3MAP2K1
Benzoic Acid SCHEMBL3268038 0.75 RXRA (0.37) EPHX2PDE2AIDO1TDO2
SCHEMBL1274770 0.73 NR4A2 (0.56) NR4A2CREBBPJAK3MAP2K1
SCHEMBL1275298 0.72 NR4A2 (0.57) NR4A2CREBBPJAK3MAP2K1
SCHEMBL16597348 0.72 NR4A2 (0.44) NR4A2CREBBPJAK3MAP2K1
SCHEMBL16597457 0.71 NR4A2 (0.43) NR4A2CREBBPJAK3MAP2K1
SCHEMBL27873284 0.71 PDE2A (0.36) EPHX2PDE2A
SCHEMBL27873283 0.71 PDE2A (0.34) EPHX2PDE2AIDO1TDO2

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-102470132-B Disubstituted [4-(5-aminomethyl-phenyl)-piperidin-1-yl]-1h-indol-3-yl]-methanones SANOFI SA 2013-11-06 — — CN 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
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-A1 DISUBSTITUTED ]4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-1H-INDOL-3-YL]-METHANONES SANOFI (FR) 2012-08-01 — — 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
CN-102470132-A Disubstituted [4-(5-aminomethyl-phenyl)-piperidin-1-yl]-1h-indol-3-yl]-methanones SANOFI AVENTIS 2012-05-23 — — CN 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
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 NR4A2 4627/4885EPHX2 3039/4885CREBBP 4517/4885

“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.

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