SCHEMBL7864937

SCHEMBL7864937

COc1ccc(C2(c3cccc(-c4cccnc4)c3)COC(N)=N2)cc1F

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.75
CTSD P07339 11/20 0.60
BACE2 Q9Y5Z0 6/20 0.60
KCNH2 Q12809 3/20 0.49
REN P00797 1/20 0.47

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 SCHEMBL2287055 0.95 BACE1 (0.68) BACE1CTSDBACE2KCNH2REN
SCHEMBL7874076 0.91 BACE1 (0.74) BACE1CTSDBACE2KCNH2REN
SCHEMBL2283883 0.89 BACE1 (0.61) BACE1CTSDBACE2KCNH2
SCHEMBL2283875 0.89 BACE1 (0.61) BACE1CTSDBACE2KCNH2
SCHEMBL7870271 0.89 BACE1 (0.76) BACE1CTSDBACE2KCNH2REN
SCHEMBL2281101 0.89 BACE1 (0.65) BACE1CTSDBACE2KCNH2
SCHEMBL2281096 0.89 BACE1 (0.65) BACE1CTSDBACE2KCNH2
SCHEMBL2283618 0.88 BACE1 (0.75) BACE1CTSDBACE2KCNH2REN
SCHEMBL2283615 0.88 BACE1 (0.75) BACE1CTSDBACE2KCNH2REN
SCHEMBL12376216 0.88 BACE1 (0.71) BACE1CTSDBACE2KCNH2REN

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
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
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

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 721/4885BACE2 1/4885

“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.