SCHEMBL1275640

SCHEMBL1275640

CCCn1cc(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)c2c(OC(F)(F)F)ccc(F)c21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 19/20 0.49
KCNH2 Q12809 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL9110507 0.99 TPSAB1 (0.48) TPSAB1KCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL6870792 0.95 TPSAB1 (0.50) TPSAB1KCNH2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9110053 0.95 TPSAB1 (0.49) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL2043935 0.92 TPSAB1 (0.51) TPSAB1KCNH2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2050747 0.92 TPSAB1 (0.51) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL1275311 0.91 TPSAB1 (0.43) TPSAB1KCNH2CYP2C9CYP2C19CYP3A4
Hydrochloric Acid SCHEMBL9110665 0.91 TPSAB1 (0.43) TPSAB1KCNH2CYP2C9CYP2C19CYP3A4
SCHEMBL6871322 0.89 TPSAB1 (0.42) TPSAB1
Fumaric Acid SCHEMBL2282789 0.88 TPSAB1 (0.49) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL12643122 0.88 TPSAB1 (0.59) TPSAB1KCNH2CYP2C9CYP2C19

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 12 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 claimed
US-20120142735-A1 DISUBSTITUTED [4-(5-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]- 1H-INDOL-3-YL]-METHANONES SANOFI (FR) 2012-06-07 US claimed
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
WO-2011106334-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS SANOFI (FR) 2011-09-01 WO disclosed
WO-2011078983-A1 TREATMENT FOR INFLAMMATORY BOWEL DISEASE SANOFI (FR) 2011-06-30 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
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 TPSAB1 3/4885KCNH2 495/4885CYP2C9 257/4885

“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.