SCHEMBL2279759

SCHEMBL2279759

O=CONC1=NC(c2ccc(OCCF)cc2)(c2cccc(-c3cccnc3)c2)CO1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.51
CTSD P07339 10/20 0.41
KCNH2 Q12809 4/20 0.40
BACE2 Q9Y5Z0 4/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
CTSE P14091 1/20 0.33

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
SCHEMBL2286627 0.92 BACE1 (0.50) BACE1CTSDKCNH2BACE2
SCHEMBL2279673 0.90 BACE1 (0.42) BACE1CTSDKCNH2BACE2
SCHEMBL2279245 0.89 BACE1 (0.47) BACE1CTSDKCNH2BACE2
SCHEMBL2282149 0.87 BACE1 (0.67) BACE1CTSDKCNH2BACE2CYP19A1
SCHEMBL2280161 0.87 BACE1 (0.52) BACE1CTSDKCNH2BACE2
Formic Acid SCHEMBL2279756 0.83 BACE1 (0.67) BACE1CTSDKCNH2BACE2
SCHEMBL2277789 0.83 BACE1 (0.55) BACE1CTSDKCNH2BACE2CTSE
SCHEMBL7865298 0.82 BACE1 (0.74) BACE1CTSDKCNH2BACE2
SCHEMBL2283445 0.82 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL2283720 0.81 BACE1 (0.46) BACE1CTSDKCNH2BACE2CYP19A1

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 721/4885KCNH2 4334/4885

“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.