SCHEMBL17119142

SCHEMBL17119142

COc1ccc(C(=O)Nc2ccc(F)c([C@]3(CF)C[C@@H](CF)OC(N)=N3)c2)nc1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.80
BACE2 Q9Y5Z0 1/20 0.62

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
SCHEMBL17119141 0.89 BACE1 (0.79) BACE1BACE2
SCHEMBL15152282 0.89 BACE1 (1.00) BACE1
SCHEMBL17119136 0.85 BACE1 (0.80) BACE1
SCHEMBL17119312 0.85 BACE1 (0.69) BACE1BACE2
SCHEMBL17119293 0.85 BACE1 (0.80) BACE1
SCHEMBL17119302 0.83 BACE1 (0.77) BACE1
SCHEMBL17119106 0.82 BACE1 (0.61) BACE1
SCHEMBL15152073 0.82 BACE1 (0.90) BACE1
SCHEMBL15149973 0.81 BACE1 (1.00) BACE1
SCHEMBL16415545 0.81 BACE1 (0.85) BACE1

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-9758513-B2 Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20170008881-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2017-01-12 US disclosed
US-9540359-B2 Dihydrooxazine or oxazepine derivatives having BACE1 inhibitory activity SHIONOGI & CO., LTD. (JP) 2017-01-10 US disclosed
US-20150266865-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-09-24 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 (2 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-20150266865-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885
US-20170008881-A1 DIHYDROOXAZINE OR OXAZEPINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885

“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.