SCHEMBL15909892

SCHEMBL15909892

COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)O[C@H](C(F)(F)F)[C@@H]3F)c2)cn1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.77
CYP2D6 P10635 4/20 0.76
BACE2 Q9Y5Z0 3/20 0.76
CTSD P07339 1/20 0.71

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
SCHEMBL18636703 0.94 BACE1 (0.85) BACE1CYP2D6BACE2CTSD
SCHEMBL17169264 0.91 BACE1 (0.72) BACE1CYP2D6BACE2CTSD
SCHEMBL17169057 0.91 BACE1 (0.74) BACE1CYP2D6BACE2CTSD
SCHEMBL15909938 0.89 BACE1 (0.74) BACE1CYP2D6BACE2
SCHEMBL15909901 0.88 BACE1 (0.80) BACE1CYP2D6BACE2
SCHEMBL15909891 0.88 BACE1 (0.80) BACE1CYP2D6BACE2
SCHEMBL15909896 0.87 BACE1 (0.77) BACE1CYP2D6BACE2
SCHEMBL17169041 0.87 BACE1 (0.77) BACE1CYP2D6BACE2CTSD
SCHEMBL17119169 0.87 BACE1 (1.00) BACE1CYP2D6BACE2CTSD
SCHEMBL17169038 0.86 BACE1 (1.00) BACE1CYP2D6BACE2CTSD

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-20150376172-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS WOLTERING THOMAS (US) 2015-12-31 US claimed
US-20150376172-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS WOLTERING THOMAS (US) 2015-12-31 US disclosed
US-20150376172-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS WOLTERING THOMAS (US) 2015-12-31 US disclosed
WO-2014114532-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-31 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-20150376172-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS BACE1, BACE2, PSEN1 BACE1 1/4885CYP2D6 916/4885BACE2 2/4885

“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.