SCHEMBL2282020

SCHEMBL2282020

CCOc1cc(Nc2cccc(OC)c2)cc(C2(c3ccc(OC(F)F)c(C)c3)COC(N)=N2)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.41
CTSD P07339 8/20 0.41
ADORA3 P0DMS8 1/20 0.35
EGFR P00533 1/20 0.35
MTNR1B P49286 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
SCHEMBL2282028 1.00 BACE1 (0.41) BACE1CTSDADORA3EGFRMTNR1B
SCHEMBL7871291 0.92 BACE1 (0.41) BACE1CTSD
SCHEMBL2280496 0.90 BACE1 (0.39) BACE1CTSDMTNR1B
SCHEMBL2280490 0.90 BACE1 (0.39) BACE1CTSDMTNR1B
SCHEMBL2279753 0.87 BACE1 (0.47) BACE1CTSDADORA3EGFRMTNR1B
SCHEMBL2284561 0.87 BACE1 (0.44) BACE1CTSDEGFR
SCHEMBL2284558 0.87 BACE1 (0.44) BACE1CTSDEGFR
SCHEMBL2283122 0.85 BACE1 (0.40) BACE1CTSD
SCHEMBL2283110 0.85 BACE1 (0.40) BACE1CTSD
SCHEMBL2283313 0.84 BACE1 (0.47) BACE1CTSDEGFRMTNR1B

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 15 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 claimed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US claimed
EP-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO claimed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US claimed
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 721/4885ADORA3 249/4885

“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.