SCHEMBL4309737

SCHEMBL4309737

Fc1ccc(C#Cc2ccc(OC(F)F)c(C3CC3)c2)cc1OCC(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.37
CTSD P07339 2/20 0.37
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
CNR2 P34972 3/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
AAK1 Q2M2I8 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PTGDR Q13258 1/20 0.31
GRM4 Q14833 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
SCHEMBL4312609 0.89 HTR2A (0.32) HTR2APTGDR2AAK1ADRA1DGRIN2B
SCHEMBL4312632 0.86 BACE1 (0.36) RENCTSDBACE1BACE2HTR2C
SCHEMBL4311894 0.83 PTGDR2 (0.36) RENCTSDBACE1BACE2PTGDR2
SCHEMBL4318349 0.81 BACE1 (0.51) RENCTSDBACE1BACE2RXRA
SCHEMBL4306443 0.80 PDE4B (0.41) RENCTSDBACE1BACE2PTGDR2
SCHEMBL4304458 0.79 REN (0.42) RENCTSDBACE1BACE2RXRA
SCHEMBL4304053 0.78 REN (0.38) RENCTSDBACE1BACE2HTR2A
SCHEMBL4311110 0.73 PDE4D (0.33) RENCTSDBACE1BACE2PTGDR2
SCHEMBL4306383 0.73 PTGDR2 (0.35) PTGDR2AAK1ADRA1APTGDR
SCHEMBL16954140 0.73 PTGDR2 (0.35) PTGDR2AAK1ADRA1APTGDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 REN 2367/4885CTSD 88/4885BACE1 1/4885

“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.