SCHEMBL1274772

SCHEMBL1274772

COCCn1cc(C(=O)O)c2c(C(F)(F)F)ccc(OC)c21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.41
IL1B P01584 3/20 0.41
CASR P41180 1/20 0.41
CNR2 P34972 7/20 0.37
CNR1 P21554 3/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CMA1 P23946 2/20 0.36
CHRM1 P11229 1/20 0.35
IDO1 P14902 1/20 0.35
MRGPRX4 Q96LA9 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
SCHEMBL1275921 0.87 CHRM1 (0.45) P2RX7IL1BCNR2CNR1CHRM1
SCHEMBL2037949 0.79 P2RX7 (0.62) P2RX7IL1BCNR2CNR1
SCHEMBL6871857 0.78 CHRM1 (0.41) P2RX7IL1BCNR2CNR1MAPT
SCHEMBL6869518 0.77 P2RX7 (0.42) P2RX7IL1B
SCHEMBL6870062 0.77 P2RX7 (0.41) P2RX7IL1BCNR2CNR1CHRM1
SCHEMBL2036074 0.76 P2RX7 (0.47) P2RX7IL1BCNR2CNR1MAPT
SCHEMBL1988580 0.76 CHRM1 (0.43) P2RX7IL1BCNR2CNR1MAPT
SCHEMBL23809515 0.75 ATM (0.39) P2RX7CASRCNR2CNR1MAPT
SCHEMBL2033959 0.75 P2RX7 (0.42) P2RX7IL1B
SCHEMBL1275017 0.74 CHRM1 (0.53) P2RX7IL1BCNR2CNR1MAPT

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 4 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-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
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 P2RX7 686/4885IL1B 1418/4885CASR 4279/4885

“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.