SCHEMBL2053281

SCHEMBL2053281

COCCn1ccc2c(OC(F)(F)F)ccc(F)c21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.38
GRIN2B Q13224 1/20 0.36
SCN9A Q15858 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.33
MKNK2 Q9HBH9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
ADRB2 P07550 1/20 0.31
CTSS P25774 1/20 0.30

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
SCHEMBL6872107 0.89 PDE2A (0.38) PDE2AGRIN2BSCN9ATP53MAPT
SCHEMBL6870210 0.87 GRM2 (0.38) PDE2AMAPT
SCHEMBL6869734 0.85 CASR (0.35) PDE2ASCN9ATP53MAPTMKNK2
SCHEMBL6871205 0.85 ICMT (0.35) PDE2AGRIN2BMAPTKDM4E
SCHEMBL6872057 0.82 GRIN2B (0.42) GRIN2BTP53MAPT
SCHEMBL6871072 0.80 GRIN2B (0.38) GRIN2BTP53MAPTKDM4ECTSS
SCHEMBL6872010 0.80 SCN9A (0.35) PDE2ASCN9ATP53MAPTMKNK2
SCHEMBL6871183 0.78 GRIN2B (0.45) GRIN2BTP53
SCHEMBL27816857 0.77 PDE2A (0.33) PDE2AGRIN2BSCN9AKDM4ETDP1
SCHEMBL2045423 0.76 TDP1 (0.34) PDE2ASCN9AMAPTKDM4ETDP1

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 33 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
CN-102149705-B [4- (5-aminomethyl-2-fluorophenyl) -piperidin-1-yl ] - [ 7-fluoro-1- (2-methoxyethyl) -4-trifluoromethoxy-1H-indol-3-yl ] -methanone as mast cell tryptase inhibitor SANOFI AVENTIS 2013-08-07 CN 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
CN-102858336-A Treatment of skin allergic symptoms SANOFI SA 2013-01-02 CN 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
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
CN-102149705-A [4- (5-aminomethyl-2-fluorophenyl) -piperidin-1-yl ] - [ 7-fluoro-1- (2-methoxyethyl) -4-trifluoromethoxy-1H-indol-3-yl ] -methanone as mast cell tryptase inhibitor SANOFI AVENTIS 2011-08-10 CN 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 (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-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 PDE2A 1231/4885GRIN2B 3649/4885SCN9A 2186/4885
US-20120309790-A1 TREATMENT OF DERMATOLOGICAL ALLERGIC CONDITIONS TSLP, CMA1, TPSG1 PDE2A 3158/4885GRIN2B 2163/4885SCN9A 2725/4885

“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.