SCHEMBL7864056

SCHEMBL7864056

Cc1cncc(-c2cccc(C3(c4ccc(OC(F)F)cc4C)COC(N)=N3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.52
CTSD P07339 10/20 0.51
KCNH2 Q12809 4/20 0.43
BACE2 Q9Y5Z0 1/20 0.40

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 SCHEMBL2288076 0.95 BACE1 (0.47) BACE1CTSDKCNH2BACE2
SCHEMBL2287067 0.92 BACE1 (0.52) BACE1CTSDKCNH2BACE2
SCHEMBL2287065 0.92 BACE1 (0.52) BACE1CTSDKCNH2BACE2
SCHEMBL2284481 0.91 BACE1 (0.53) BACE1CTSDKCNH2BACE2
SCHEMBL2284486 0.91 BACE1 (0.53) BACE1CTSDKCNH2BACE2
SCHEMBL2283311 0.91 BACE1 (0.57) BACE1CTSDKCNH2BACE2
SCHEMBL2283319 0.91 BACE1 (0.57) BACE1CTSDKCNH2BACE2
SCHEMBL2287079 0.91 BACE1 (0.63) BACE1CTSDKCNH2BACE2
SCHEMBL2287074 0.91 BACE1 (0.63) BACE1CTSDKCNH2BACE2
SCHEMBL7863649 0.90 BACE1 (0.64) BACE1CTSDKCNH2

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 6 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-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 721/4885KCNH2 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.