SCHEMBL7870940

SCHEMBL7870940

CCOc1ccc(C2(c3cccc(-c4cccc(C#N)c4)c3)COC(N)=N2)cc1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.48
CTSD P07339 8/20 0.48
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
KCNH2 Q12809 1/20 0.40
BACE2 Q9Y5Z0 2/20 0.38
CTSB P07858 1/20 0.38
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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 SCHEMBL2285659 0.95 BACE1 (0.44) BACE1CTSDGABRG2GABRB3GABRA5
SCHEMBL7870302 0.90 BACE1 (0.55) BACE1CTSDBACE2CTSB
SCHEMBL7862973 0.87 BACE1 (0.48) BACE1CTSDKCNH2BACE2CTSB
SCHEMBL2277183 0.86 BACE1 (0.66) BACE1CTSDKCNH2
SCHEMBL2277191 0.86 BACE1 (0.66) BACE1CTSDKCNH2
SCHEMBL2282094 0.85 BACE1 (0.66) BACE1CTSDKCNH2BACE2
SCHEMBL2282086 0.85 BACE1 (0.66) BACE1CTSDKCNH2BACE2
Formic Acid SCHEMBL2281075 0.85 BACE1 (0.50) BACE1CTSDBACE2CTSB
SCHEMBL7870320 0.84 BACE1 (0.67) BACE1CTSDKCNH2BACE2
SCHEMBL7864861 0.83 BACE1 (0.69) BACE1CTSDKCNH2BACE2

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 4 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
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 721/4885GABRG2 2230/4885

“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.