SCHEMBL2279579

SCHEMBL2279579

COc1cccc(-c2cccc([C@@]3(c4ccc(Cl)cc4)COC(NOC=O)=N3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.53
CTSD P07339 5/20 0.53
CNR1 P21554 1/20 0.41
KCNH2 Q12809 6/20 0.40

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
SCHEMBL2284060 0.93 BACE1 (0.53) BACE1CTSDKCNH2
SCHEMBL2279895 0.91 BACE1 (0.56) BACE1CTSDCNR1KCNH2
SCHEMBL2284002 0.91 BACE1 (0.47) BACE1CTSDKCNH2
SCHEMBL2282097 0.91 BACE1 (0.66) BACE1CTSDKCNH2
SCHEMBL13685481 0.87 BACE1 (0.43) BACE1CTSDKCNH2
SCHEMBL2281928 0.86 BACE1 (0.69) BACE1CTSDKCNH2
SCHEMBL2284389 0.86 BACE1 (0.52) BACE1CTSDKCNH2
SCHEMBL2284115 0.85 BACE1 (0.52) BACE1CTSDKCNH2
SCHEMBL2286731 0.85 BACE1 (0.55) BACE1CTSDKCNH2
SCHEMBL2287122 0.85 BACE1 (0.54) 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 721/4885CNR1 3295/4885

“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.