SCHEMBL2052368

SCHEMBL2052368

COCCn1cc(C(=O)N2CCC(c3cc(CN)ccc3F)CC2)c2ccnc(C)c21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 16/20 0.55
KCNH2 Q12809 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MTOR P42345 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL12541144 0.92 TPSAB1 (0.53) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL2049485 0.92 TPSAB1 (0.53) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL2052897 0.91 TPSAB1 (0.52) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL2049152 0.91 TPSAB1 (0.52) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL12540321 0.91 TPSAB1 (0.52) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL1275890 0.89 TPSAB1 (0.58) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9112621 0.88 TPSAB1 (0.57) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL2050935 0.88 TPSAB1 (0.49) TPSAB1KDM4EMEN1ALDH1A1GLA
SCHEMBL12540442 0.88 TPSAB1 (0.54) TPSAB1KCNH2CYP2C9CYP2C19KDM4E
SCHEMBL12643107 0.87 TPSAB1 (0.62) TPSAB1KCNH2CYP2C9CYP2C19KDM4E

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
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
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
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
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.