SCHEMBL6845767

SCHEMBL6845767

CC(C)(C)c1ccc2c(c1)[C@@]1(COCC(N)=N1)c1cc(-c3ccnc(F)c3)cnc1O2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.55
KCNH2 Q12809 7/20 0.44
CTSD P07339 3/20 0.42
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
SCHEMBL2381064 0.86 BACE1 (0.54) BACE1KCNH2CTSDBACE2
SCHEMBL2381074 0.86 BACE1 (0.54) BACE1KCNH2CTSDBACE2
SCHEMBL12236843 0.85 BACE1 (0.42) BACE1KCNH2CTSDBACE2
SCHEMBL2524963 0.84 BACE1 (0.60) BACE1KCNH2CTSDBACE2
SCHEMBL2524959 0.84 BACE1 (0.60) BACE1KCNH2CTSDBACE2
SCHEMBL12235935 0.80 BACE1 (0.60) BACE1KCNH2CTSDBACE2
SCHEMBL2523986 0.77 BACE1 (0.53) BACE1CTSD
SCHEMBL2523987 0.77 BACE1 (0.53) BACE1CTSD
SCHEMBL12213452 0.75 BACE1 (0.67) BACE1KCNH2CTSDBACE2
SCHEMBL15418814 0.75 BACE1 (0.50) BACE1KCNH2CTSDBACE2

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-20110251186-A1 Amino-Oxazines and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115928-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC. (US) 2011-09-22 WO 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-20110251186-A1 Amino-Oxazines and Amino-Dihydrothiazine Compounds as Beta-Secretase Modulators and Methods of Use BACE1, APP, BACE2 BACE1 1/4885KCNH2 3091/4885CTSD 1985/4885

“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.