SCHEMBL2283587

SCHEMBL2283587

COc1cncc(-c2cccc(C3(c4ccc5c(c4)CCO5)COC(NOC=O)=N3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.43
CTSD P07339 7/20 0.42
BACE2 Q9Y5Z0 4/20 0.42
KCNH2 Q12809 3/20 0.39
CYP1A2 P05177 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2281207 0.93 BACE1 (0.41) BACE1CTSDBACE2KCNH2
SCHEMBL2286731 0.88 BACE1 (0.55) BACE1CTSDBACE2KCNH2CYP1A2
SCHEMBL2282850 0.85 BACE1 (0.49) BACE1CTSDBACE2KCNH2CYP11B1
SCHEMBL2282206 0.85 BACE1 (0.45) BACE1CTSDBACE2KCNH2
SCHEMBL2285156 0.84 BACE1 (0.49) BACE1CTSDBACE2
SCHEMBL2283136 0.84 BACE1 (0.44) BACE1CTSDBACE2KCNH2
SCHEMBL2281076 0.84 BACE1 (0.45) BACE1CTSDBACE2KCNH2CYP11B1
Formic Acid SCHEMBL2283581 0.84 BACE1 (0.57) BACE1CTSDBACE2KCNH2
SCHEMBL7868119 0.83 BACE1 (0.63) BACE1CTSDBACE2KCNH2
SCHEMBL2286495 0.83 BACE1 (0.48) BACE1CTSDBACE2KCNH2

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 3 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-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.