SCHEMBL2051182

SCHEMBL2051182

COCCn1cc(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)c2cnccc21

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 17/20 0.56
KCNH2 Q12809 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
HRH2 P25021 1/20 0.40

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 SCHEMBL2049741 0.99 TPSAB1 (0.55) TPSAB1KCNH2CYP2C9CYP2C19HRH2
SCHEMBL2052560 0.94 TPSAB1 (0.56) TPSAB1KCNH2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2051625 0.93 TPSAB1 (0.55) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL2052395 0.87 TPSAB1 (0.49) TPSAB1HRH2
SCHEMBL10064550 0.85 TPSAB1 (0.55) TPSAB1KCNH2CYP2C9CYP2C19HRH2
Hydrochloric Acid SCHEMBL1275313 0.85 TPSAB1 (0.54) TPSAB1KCNH2CYP2C9CYP2C19HRH2
SCHEMBL2050593 0.84 TPSAB1 (0.54) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL12540080 0.84 TPSAB1 (0.44) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL12642992 0.84 TPSAB1 (0.51) TPSAB1KCNH2CYP2C9CYP2C19
SCHEMBL6870911 0.84 TPSAB1 (0.53) TPSAB1KCNH2CYP2C9CYP2C19HRH2

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-2519520-A1 [4-(3-AMINOMETHYL-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLOPYRIDINYL)-METHANONE DERIVATIVES AS TRYPTASE INHIBITORS SANOFI (FR) 2012-11-07 EP claimed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US claimed
WO-2011078984-A1 [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2011-06-30 WO claimed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US disclosed
US-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2012-09-27 US disclosed
WO-2011078984-A1 [4[4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF SANOFI (FR) 2011-06-30 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-20120245199-A1 [4 [4-(AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-(1H-PYRROLO-PYRIDIN-YL)-METHANONES AND SYNTHESIS THEREOF CMA1, TPSB2, TPH1 TPSAB1 4/4885KCNH2 1976/4885CYP2C9 747/4885

“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.