SCHEMBL2282149

SCHEMBL2282149

COc1ccc(C2(c3cccc(-c4cccnc4)c3)COC(NOC=O)=N2)cc1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.67
KCNH2 Q12809 4/20 0.53
CTSD P07339 8/20 0.50
CTSE P14091 1/20 0.44
CYP17A1 P05093 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
BACE2 Q9Y5Z0 3/20 0.39
ABCB1 P08183 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
SCHEMBL2288740 0.92 BACE1 (0.67) BACE1KCNH2CTSDBACE2
SCHEMBL2286731 0.91 BACE1 (0.55) BACE1KCNH2CTSDCTSECYP11B2
SCHEMBL2284060 0.90 BACE1 (0.53) BACE1KCNH2CTSD
SCHEMBL2280161 0.89 BACE1 (0.52) BACE1KCNH2CTSDCYP11B2CYP11B1
SCHEMBL2279854 0.89 BACE1 (0.53) BACE1KCNH2CTSDBACE2
SCHEMBL2281058 0.89 BACE1 (0.52) BACE1KCNH2CTSDBACE2
SCHEMBL2284389 0.88 BACE1 (0.52) BACE1KCNH2CTSD
SCHEMBL2287058 0.88 BACE1 (0.51) BACE1KCNH2CTSDBACE2ABCB1
SCHEMBL2287122 0.87 BACE1 (0.54) BACE1KCNH2CTSD
SCHEMBL2282097 0.87 BACE1 (0.66) BACE1KCNH2CTSD

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 2 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-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 2/4885KCNH2 4334/4885CTSD 721/4885

“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.