SCHEMBL2284061

SCHEMBL2284061

COc1ccc(C2(c3ccc(F)c(-c4cncc(F)c4)c3)COC(NOC=O)=N2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.42
CTSD P07339 8/20 0.42
BACE2 Q9Y5Z0 7/20 0.42
REN P00797 3/20 0.42
KCNH2 Q12809 3/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
CYP2D6 P10635 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL2279435 0.93 BACE1 (0.42) BACE1CTSDBACE2RENKCNH2
SCHEMBL2287875 0.91 BACE1 (0.42) BACE1CTSDBACE2REN
SCHEMBL2283698 0.89 BACE1 (0.43) BACE1CTSDBACE2RENKCNH2
SCHEMBL2283656 0.87 BACE1 (0.41) BACE1CTSDBACE2REN
SCHEMBL2281408 0.86 BACE1 (0.37) BACE1CTSDBACE2REN
SCHEMBL2282031 0.85 BACE1 (0.39) BACE1CTSDBACE2RENKCNH2
SCHEMBL2283355 0.85 BACE1 (0.46) BACE1CTSDBACE2REN
SCHEMBL2280980 0.85 BACE1 (0.47) BACE1CTSDBACE2REN
SCHEMBL2285187 0.85 BACE1 (0.40) BACE1CTSDBACE2RENKCNH2
SCHEMBL2281620 0.84 BACE1 (0.35) 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.