SCHEMBL2283087

SCHEMBL2283087

COc1ccc([C@]2(c3cc(Nc4ccccc4)cc(OCC4CC4)c3)COC(N)=N2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.38
CTSD P07339 8/20 0.38
KCNH2 Q12809 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
EGFR P00533 3/20 0.34
PDE4A P27815 1/20 0.33
PDE4D Q08499 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
SCHEMBL2283083 1.00 BACE1 (0.38) BACE1CTSDKCNH2SIRT2EGFR
SCHEMBL2283110 0.91 BACE1 (0.40) BACE1CTSD
SCHEMBL2283122 0.91 BACE1 (0.40) BACE1CTSD
SCHEMBL2287937 0.88 BACE1 (0.39) BACE1CTSDKCNH2
SCHEMBL2287944 0.88 BACE1 (0.39) BACE1CTSDKCNH2
SCHEMBL13825376 0.85 BACE1 (0.41) BACE1CTSDKCNH2PDE4APDE4D
SCHEMBL2284332 0.85 BACE1 (0.39) BACE1CTSDKCNH2PDE4APDE4D
SCHEMBL2284328 0.85 BACE1 (0.39) BACE1CTSDKCNH2PDE4APDE4D
SCHEMBL2280143 0.83 BACE1 (0.41) BACE1CTSD
SCHEMBL2280139 0.83 BACE1 (0.41) BACE1CTSD

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 721/4885KCNH2 4334/4885

“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.