SCHEMBL2277206

SCHEMBL2277206

COc1ccc([C@]2(c3cc(Br)cc(OCC(F)(F)F)c3)COC(N)=N2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.40
CTSD P07339 4/20 0.40
AMD1 P17707 1/20 0.36
KCNH2 Q12809 6/20 0.36
P2RX7 Q99572 1/20 0.34

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
SCHEMBL2277203 1.00 BACE1 (0.40) BACE1CTSDAMD1KCNH2P2RX7
SCHEMBL3391476 0.93 BACE1 (0.37) BACE1CTSDAMD1KCNH2
SCHEMBL13761170 0.89 BACE1 (0.42) BACE1CTSDKCNH2
SCHEMBL2285384 0.89 BACE1 (0.41) BACE1CTSD
SCHEMBL2285394 0.89 BACE1 (0.41) BACE1CTSD
SCHEMBL2284332 0.85 BACE1 (0.39) BACE1CTSDKCNH2
SCHEMBL2284328 0.85 BACE1 (0.39) BACE1CTSDKCNH2
SCHEMBL2287937 0.85 BACE1 (0.39) BACE1CTSDAMD1KCNH2P2RX7
SCHEMBL2287944 0.85 BACE1 (0.39) BACE1CTSDAMD1KCNH2P2RX7
SCHEMBL2280521 0.83 BACE1 (0.44) 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 5 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
EP-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO 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 721/4885AMD1 208/4885

“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.