SCHEMBL2287786

SCHEMBL2287786

O=CONC1=NC(c2ccccc2)(c2ccc(F)c(-c3ccncc3F)c2)CO1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.35
CTSD P07339 4/20 0.35
BUB1 O43683 2/20 0.30

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
SCHEMBL2287104 0.85 BACE1 (0.44) BACE1CTSD
SCHEMBL2279474 0.81 BACE1 (0.50) BACE1CTSD
Formic Acid SCHEMBL2287778 0.80 BACE1 (0.46) BACE1CTSD
SCHEMBL2284115 0.79 BACE1 (0.52) BACE1CTSD
SCHEMBL7864522 0.79 BACE1 (0.50) BACE1CTSD
SCHEMBL2280161 0.77 BACE1 (0.52) BACE1CTSD
SCHEMBL2283475 0.76 BACE1 (0.55) BACE1CTSD
SCHEMBL2282646 0.76 BACE1 (0.42) BACE1CTSD
SCHEMBL2286475 0.75 BACE1 (0.41) BACE1CTSD
SCHEMBL2284326 0.74 BACE1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 721/4885BUB1 1356/4885

“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.