SCHEMBL1275903

SCHEMBL1275903

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.45
P2RX7 Q99572 2/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 3/20 0.37
CNR2 P34972 2/20 0.37
TPSAB1 Q15661 1/20 0.37
ATM Q13315 1/20 0.36
ADRA2A P08913 1/20 0.36
CLCN2 P51788 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
IL1B P01584 1/20 0.35
LMNA P02545 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
SCHEMBL1275017 0.91 CHRM1 (0.53) CHRM1P2RX7ALDH1A1CNR1CNR2
SCHEMBL6871015 0.90 CHRM1 (0.47) CHRM1P2RX7ALDH1A1MEN1KMT2A
SCHEMBL1274966 0.86 TPSAB1 (0.39) CHRM1P2RX7CNR1CNR2TPSAB1
SCHEMBL1275324 0.86 CHRM1 (0.40) CHRM1P2RX7ALDH1A1MEN1KMT2A
SCHEMBL1274967 0.86 CHRM1 (0.46) CHRM1P2RX7ADRA2ACLCN2IL1B
SCHEMBL1274765 0.85 P2RX7 (0.43) P2RX7ALDH1A1MEN1KMT2ACNR1
SCHEMBL6871857 0.82 CHRM1 (0.41) CHRM1P2RX7ALDH1A1CNR1CNR2
SCHEMBL1275667 0.80 MAPT (0.41) CHRM1P2RX7ALDH1A1MEN1KMT2A
SCHEMBL1275921 0.79 CHRM1 (0.45) CHRM1P2RX7ALDH1A1CNR1CNR2
SCHEMBL2035593 0.78 P2RX7 (0.57) CHRM1P2RX7CNR1CNR2MAPT

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 11 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
EP-2516428-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120238600-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-20 US 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-2011087652-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-07-21 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 (2 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 CHRM1 612/4885P2RX7 686/4885ALDH1A1 436/4885
US-20120238600-A1 TROPINONE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 CHRM1 263/4885P2RX7 1119/4885ALDH1A1 202/4885

“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.