SCHEMBL2283355

SCHEMBL2283355

COc1cccc(-c2cc(C3(c4ccc(OC)c(C)c4)COC(NOC=O)=N3)ccc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.46
CTSD P07339 13/20 0.46
BACE2 Q9Y5Z0 5/20 0.37
REN P00797 2/20 0.37
TNIK Q9UKE5 1/20 0.36
DHODH Q02127 2/20 0.33
APP P05067 1/20 0.32

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
SCHEMBL2280980 0.92 BACE1 (0.47) BACE1CTSDBACE2REN
SCHEMBL2284115 0.90 BACE1 (0.52) BACE1CTSDTNIKDHODH
SCHEMBL13685481 0.90 BACE1 (0.43) BACE1CTSDBACE2REN
SCHEMBL2279435 0.89 BACE1 (0.42) BACE1CTSDBACE2REN
SCHEMBL2284417 0.88 BACE1 (0.47) BACE1CTSDTNIKAPP
SCHEMBL2284078 0.87 BACE1 (0.39) BACE1CTSDBACE2RENDHODH
SCHEMBL2284061 0.85 BACE1 (0.42) BACE1CTSDBACE2REN
SCHEMBL2283656 0.85 BACE1 (0.41) BACE1CTSDBACE2REN
SCHEMBL2284435 0.84 CTSD (0.48) BACE1CTSD
SCHEMBL2277204 0.84 BACE1 (0.49) BACE1CTSDBACE2TNIKAPP

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.