SCHEMBL2053784

SCHEMBL2053784

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.40
P2RX7 Q99572 3/20 0.38
HTT P42858 1/20 0.36
CHRM1 P11229 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PDE2A O00408 1/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IL1B P01584 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
SCHEMBL6871415 0.91 IDO1 (0.40) IDO1P2RX7HTTCHRM1MTNR1A
SCHEMBL27889535 0.91 P2RX7 (0.39) IDO1P2RX7CHRM1CNR1CNR2
SCHEMBL1988580 0.90 CHRM1 (0.43) P2RX7CHRM1CNR1CNR2PDE2A
SCHEMBL10300769 0.90 P2RX7 (0.38) IDO1P2RX7CHRM1CNR1CNR2
SCHEMBL6870739 0.89 HTT (0.38) IDO1HTTCHRM1CNR1CNR2
SCHEMBL6871390 0.88 CHRM1 (0.42) IDO1P2RX7HTTCHRM1CNR1
SCHEMBL6870112 0.88 P2RX7 (0.41) IDO1P2RX7HTTIL1B
SCHEMBL1276193 0.87 CNR2 (0.40) IDO1HTTCHRM1CNR1CNR2
SCHEMBL1275611 0.85 IDO1 (0.39) IDO1P2RX7CHRM1CNR1CNR2
SCHEMBL6870062 0.84 P2RX7 (0.41) IDO1P2RX7HTTCHRM1CNR1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367812-B1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4TRIFLUOROMETHOXY-1H-INDOL-3-YL]METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE SANOFI SA (FR) 2015-09-16 EP disclosed
EP-2367812-B1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4TRIFLUOROMETHOXY-1H-INDOL-3-YL]METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE SANOFI SA (FR) 2015-09-16 EP disclosed
US-8497379-B2 Method and intermediates for the preparation of 2,2,2-trifluoro-N-(4-fluoro-3-pyridin-4-yl-benzyl)-acetamide hydrochloride SANOFI (FR) 2013-07-30 US disclosed
US-8497379-B2 Method and intermediates for the preparation of 2,2,2-trifluoro-N-(4-fluoro-3-pyridin-4-yl-benzyl)-acetamide hydrochloride SANOFI (FR) 2013-07-30 US disclosed
US-8497379-B2 Method and intermediates for the preparation of 2,2,2-trifluoro-N-(4-fluoro-3-pyridin-4-yl-benzyl)-acetamide hydrochloride SANOFI (FR) 2013-07-30 US disclosed
EP-2538942-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS SANOFI (FR) 2013-01-02 EP disclosed
US-20120309790-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS SANOFI (FR) 2012-12-06 US disclosed
US-20120309790-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS SANOFI (FR) 2012-12-06 US disclosed
US-20120309790-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS SANOFI (FR) 2012-12-06 US disclosed
US-20120283445-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE SANOFI (FR) 2012-11-08 US disclosed
WO-2011106334-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS SANOFI (FR) 2011-09-01 WO disclosed
WO-2011106334-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS SANOFI (FR) 2011-09-01 WO disclosed
US-20110201647-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
US-20110201647-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
US-20110201647-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
WO-2011079103-A1 SPIROPIPERIDINE BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011078983-A1 TREATMENT FOR INFLAMMATORY BOWEL DISEASE SANOFI (FR) 2011-06-30 WO disclosed
WO-2011078983-A1 TREATMENT FOR INFLAMMATORY BOWEL DISEASE SANOFI (FR) 2011-06-30 WO disclosed
WO-2010022196-A2 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE SANOFI-AVENTIS (FR) 2010-02-25 WO disclosed
WO-2010022196-A2 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE SANOFI-AVENTIS (FR) 2010-02-25 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 (3 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-20110201647-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE CMA1, TPSAB1, TPSB2 IDO1 11/4885P2RX7 1022/4885HTT 3181/4885
US-20120283445-A1 [4-(5-AMINOMETHYL-2-FLUORO-PHENYL)-PIPERIDIN-1-YL]-[7-FLUORO-1-(2-METHOXY-ETHYL)-4-TRIFLUOROMETHOXY-1H-INDOL-3-YL]-METHANONE AS AN INHIBITOR OF MAST CELL TRYPTASE CMA1, TPSAB1, TPSB2 IDO1 11/4885P2RX7 1022/4885HTT 3181/4885
US-20120309790-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS TSLP, CMA1, TPSG1 IDO1 239/4885P2RX7 1608/4885HTT 4278/4885

“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.