SCHEMBL2279753

SCHEMBL2279753

CCOc1ccc(C2(c3cccc(Nc4cccc(OC)c4)c3)COC(N)=N2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.47
CTSD P07339 7/20 0.47
EGFR P00533 2/20 0.42
MTNR1B P49286 1/20 0.39
ERBB3 P21860 1/20 0.39
ROCK1 Q13464 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTR2B P41595 1/20 0.37

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
Formic Acid SCHEMBL2285120 0.95 BACE1 (0.43) BACE1CTSDEGFRMTNR1BERBB3
SCHEMBL2283313 0.87 BACE1 (0.47) BACE1CTSDEGFRMTNR1BERBB3
SCHEMBL2282020 0.87 BACE1 (0.41) BACE1CTSDEGFRMTNR1BADORA3
SCHEMBL2282028 0.87 BACE1 (0.41) BACE1CTSDEGFRMTNR1BADORA3
SCHEMBL2283004 0.84 BACE1 (0.64) BACE1CTSDROCK1HTR2B
SCHEMBL2282997 0.84 BACE1 (0.64) BACE1CTSDROCK1HTR2B
SCHEMBL2283110 0.84 BACE1 (0.40) BACE1CTSD
SCHEMBL2283122 0.84 BACE1 (0.40) BACE1CTSD
SCHEMBL2285126 0.84 EGFR (0.38) EGFRMTNR1BERBB3ADORA3POLB
SCHEMBL2284561 0.84 BACE1 (0.44) BACE1CTSDEGFRPOLBMAPT

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 11 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
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-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US 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
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
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 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 721/4885EGFR 2938/4885

“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.