SCHEMBL4304483

SCHEMBL4304483

Cc1cc(C#Cc2ccc(F)c(OCCC(F)F)c2)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 7/20 0.40
REN P00797 4/20 0.40
CTSD P07339 4/20 0.40
BACE2 Q9Y5Z0 4/20 0.40
CYP3A4 P08684 2/20 0.37
HTR2A P28223 2/20 0.36
GRM2 Q14416 3/20 0.32
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRM5 P41594 1/20 0.32
ACACB O00763 2/20 0.31
PPARD Q03181 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL4311923 0.89 BACE1 (0.39) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4309949 0.89 BACE1 (0.39) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4306403 0.88 BACE1 (0.40) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4318349 0.88 BACE1 (0.51) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4313836 0.87 HTR2A (0.38) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4309613 0.86 BACE1 (0.40) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4309762 0.86 BACE1 (0.38) BACE1RENCTSDBACE2CYP3A4
SCHEMBL2794124 0.84 ACACB (0.40) BACE1RENCTSDBACE2HTR2A
SCHEMBL2795905 0.82 ACACB (0.43) BACE1RENCTSDBACE2CYP3A4
SCHEMBL4312609 0.81 HTR2A (0.32) HTR2AGRIN2B

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
CN-101641335-A Amino-5-[substituted-4-(difluoromethoxy)phenyl]-5- phenylimidazolone compounds as ss-secretase inhibitors WYETH CORP US 2010-02-03 CN disclosed
EP-2137161-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-12-30 EP disclosed
US-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS WYETH (US) 2009-02-12 US disclosed
WO-2008115552-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5- PHENYLIMIDAZOLONE COMPOUNDS AS ß-SECRETASE INHIBITORS WYETH (US) 2008-09-25 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 (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-20090042964-A1 AMINO-5-[SUBSTITUTED-4-(DIFLUOROMETHOXY)PHENYL]-5-PHENYLIMIDAZOLONE COMPOUNDS AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP BACE1 1/4885REN 2367/4885CTSD 88/4885

“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.