SCHEMBL2279435

SCHEMBL2279435

COc1cncc(-c2cc(C3(c4ccc(OC)c(C)c4)COC(NOC=O)=N3)ccc2F)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.42
CTSD P07339 10/20 0.42
BACE2 Q9Y5Z0 6/20 0.42
REN P00797 2/20 0.42
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRIN2B Q13224 1/20 0.31
CTSA P10619 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
SCHEMBL2281408 0.93 BACE1 (0.37) BACE1CTSDBACE2REN
SCHEMBL2284061 0.93 BACE1 (0.42) BACE1CTSDBACE2RENCYP2D6
SCHEMBL2278985 0.91 BACE1 (0.42) BACE1CTSDBACE2RENCYP11B1
SCHEMBL2283355 0.89 BACE1 (0.46) BACE1CTSDBACE2REN
SCHEMBL2282206 0.87 BACE1 (0.45) BACE1CTSDBACE2RENKCNH2
SCHEMBL2283656 0.86 BACE1 (0.41) BACE1CTSDBACE2RENCTSA
SCHEMBL2282031 0.85 BACE1 (0.39) BACE1CTSDBACE2RENCYP2D6
SCHEMBL2280980 0.85 BACE1 (0.47) BACE1CTSDBACE2REN
SCHEMBL2285187 0.85 BACE1 (0.40) BACE1CTSDBACE2RENCYP2D6
SCHEMBL2287875 0.84 BACE1 (0.42) 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.