SCHEMBL6872037

SCHEMBL6872037

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.47
IL1B P01584 10/20 0.47
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.40
PRPS1 P60891 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
SCHEMBL1275022 0.90 P2RX7 (0.47) P2RX7IL1BTSHRL3MBTL1KDM4E
SCHEMBL1275005 0.88 P2RX7 (0.45) P2RX7IL1B
SCHEMBL1274765 0.79 P2RX7 (0.43) P2RX7IL1BALDH1A1
SCHEMBL1274967 0.78 CHRM1 (0.46) P2RX7IL1B
SCHEMBL1275901 0.75 P2RX7 (0.43) P2RX7IL1B
SCHEMBL2033959 0.73 P2RX7 (0.42) P2RX7IL1B
SCHEMBL6869518 0.73 P2RX7 (0.42) P2RX7IL1B
SCHEMBL6870112 0.73 P2RX7 (0.41) P2RX7IL1B
SCHEMBL6871327 0.73 P2RX7 (0.41) P2RX7IL1B
SCHEMBL20604834 0.72 NR4A2 (0.43) TSHRALDH1A1

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-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
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-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 1418/4885TSHR 2501/4885

“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.