SCHEMBL2285589

SCHEMBL2285589

COc1ccc(C2(c3ccc(F)c(-c4cccnc4F)c3)COC(NOC=O)=N2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.53
CTSD P07339 13/20 0.53
BACE2 Q9Y5Z0 9/20 0.53
REN P00797 2/20 0.53
PDE2A O00408 2/20 0.32
PDE10A Q9Y233 2/20 0.32
PDE5A O76074 1/20 0.32
PDE11A Q9HCR9 1/20 0.32
CHRM5 P08912 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
SCHEMBL2280121 0.89 BACE1 (0.55) BACE1CTSDBACE2REN
SCHEMBL2284078 0.88 BACE1 (0.39) BACE1CTSDBACE2RENCHRM5
SCHEMBL2287104 0.87 BACE1 (0.44) BACE1CTSDBACE2REN
SCHEMBL2284379 0.84 BACE1 (0.56) BACE1CTSDBACE2
SCHEMBL2283656 0.84 BACE1 (0.41) BACE1CTSDBACE2RENPDE10A
SCHEMBL2280980 0.84 BACE1 (0.47) BACE1CTSDBACE2REN
SCHEMBL2283355 0.84 BACE1 (0.46) BACE1CTSDBACE2REN
Formic Acid SCHEMBL2285584 0.83 BACE1 (0.58) BACE1CTSDBACE2REN
SCHEMBL2282066 0.83 BACE1 (0.61) BACE1CTSDBACE2REN
SCHEMBL2282058 0.83 BACE1 (0.61) 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.