SCHEMBL2278985

SCHEMBL2278985

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.42
CTSD P07339 9/20 0.42
BACE2 Q9Y5Z0 2/20 0.33
REN P00797 1/20 0.33
CLK1 P49759 1/20 0.31
DYRK1A Q13627 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30
GRIN2B Q13224 1/20 0.30
RIPK2 O43353 1/20 0.30

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
SCHEMBL2285187 0.94 BACE1 (0.40) BACE1CTSDBACE2RENCYP2D6
SCHEMBL2282031 0.92 BACE1 (0.39) BACE1CTSDBACE2RENCYP2D6
SCHEMBL2279435 0.91 BACE1 (0.42) BACE1CTSDBACE2RENCYP11B1
SCHEMBL2286475 0.89 BACE1 (0.41) BACE1CTSDBACE2CYP17A1CYP11B1
SCHEMBL2286947 0.88 BACE1 (0.42) BACE1CTSD
SCHEMBL2284435 0.86 CTSD (0.48) BACE1CTSD
SCHEMBL2281408 0.86 BACE1 (0.37) BACE1CTSDBACE2REN
Formic Acid SCHEMBL2278980 0.84 BACE1 (0.56) BACE1CTSDBACE2RENKCNH2
SCHEMBL2284061 0.84 BACE1 (0.42) BACE1CTSDBACE2RENCYP2D6
SCHEMBL2279615 0.83 BACE1 (0.61) BACE1CTSDKCNH2

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.