SCHEMBL2279245

SCHEMBL2279245

COc1cncc(-c2cccc(C3(c4ccc(OCCF)cc4)COC(NOC=O)=N3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.47
CTSD P07339 7/20 0.44
KCNH2 Q12809 3/20 0.40
BACE2 Q9Y5Z0 3/20 0.37
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 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
SCHEMBL2282850 0.92 BACE1 (0.49) BACE1CTSDKCNH2BACE2CYP11B1
SCHEMBL2286731 0.91 BACE1 (0.55) BACE1CTSDKCNH2BACE2CYP11B1
SCHEMBL2279673 0.90 BACE1 (0.42) BACE1CTSDKCNH2BACE2CYP11B1
SCHEMBL2286627 0.90 BACE1 (0.50) BACE1CTSDKCNH2BACE2
SCHEMBL2279759 0.89 BACE1 (0.51) BACE1CTSDKCNH2BACE2
SCHEMBL2286495 0.87 BACE1 (0.48) BACE1CTSDKCNH2BACE2
SCHEMBL2279854 0.87 BACE1 (0.53) BACE1CTSDKCNH2BACE2
SCHEMBL2283445 0.86 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL2281076 0.85 BACE1 (0.45) BACE1CTSDKCNH2BACE2CYP11B1
Formic Acid SCHEMBL2279238 0.84 BACE1 (0.61) BACE1CTSDKCNH2BACE2

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.