SCHEMBL2287465

SCHEMBL2287465

COc1ccc(C2(c3cccc(-c4ccc(F)nc4)c3)COC(NOC=O)=N2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.54
CTSD P07339 8/20 0.54
BACE2 Q9Y5Z0 4/20 0.38
REN P00797 2/20 0.38
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
PDE10A Q9Y233 5/20 0.32
KCNH2 Q12809 1/20 0.32
PDE2A O00408 3/20 0.31
PDE5A O76074 2/20 0.31
PDE11A Q9HCR9 2/20 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
SCHEMBL2283668 0.93 BACE1 (0.55) BACE1CTSDBACE2GRIN1GRIN2B
SCHEMBL2283305 0.92 BACE1 (0.49) BACE1CTSDBACE2RENKCNH2
SCHEMBL2284012 0.91 BACE1 (0.48) BACE1CTSDBACE2RENKCNH2
SCHEMBL2281280 0.89 BACE1 (0.69) BACE1CTSDBACE2KCNH2
SCHEMBL2283656 0.89 BACE1 (0.41) BACE1CTSDBACE2RENPDE10A
SCHEMBL2281058 0.87 BACE1 (0.52) BACE1CTSDBACE2RENKCNH2
SCHEMBL2283698 0.87 BACE1 (0.43) BACE1CTSDBACE2RENKCNH2
SCHEMBL13685481 0.86 BACE1 (0.43) BACE1CTSDBACE2RENKCNH2
SCHEMBL2285107 0.85 BACE1 (0.51) BACE1CTSDBACE2RENKCNH2
SCHEMBL2280121 0.85 BACE1 (0.55) BACE1CTSDBACE2REN

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-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US 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-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES BACE2, BACE1, PSEN2 BACE1 2/4885CTSD 721/4885BACE2 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.