SCHEMBL7871579

SCHEMBL7871579

NC1=NC(c2ccccc2)(c2ccc(-c3cccc(OC(F)(F)F)c3)cc2)CO1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.61
CTSD P07339 9/20 0.61
BACE2 Q9Y5Z0 1/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ATR Q13535 1/20 0.39

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
SCHEMBL2283195 1.00 BACE1 (0.61) BACE1CTSDBACE2ADORA2AADORA1
SCHEMBL2285115 0.81 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL2285110 0.81 BACE1 (0.79) BACE1CTSDBACE2
SCHEMBL2281084 0.79 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL2281078 0.79 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL2281003 0.79 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL2281007 0.79 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL2280915 0.76 BACE1 (0.81) BACE1CTSD
SCHEMBL2280909 0.76 BACE1 (0.81) BACE1CTSD
SCHEMBL15510270 0.76 BACE1 (0.77) BACE1CTSDBACE2

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.