SCHEMBL15904358

SCHEMBL15904358

C[C@]1(c2cc([N+](=O)[O-])ccc2F)N=C(N)O[C@H](C(F)(F)F)[C@@H]1F

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.52
BACE2 Q9Y5Z0 5/20 0.45
CYP2D6 P10635 5/20 0.45

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
SCHEMBL15904591 1.00 BACE1 (0.52) BACE1BACE2CYP2D6
SCHEMBL18623924 0.93 BACE1 (0.52) BACE1BACE2CYP2D6
SCHEMBL17169203 0.89 BACE1 (0.42) BACE1BACE2CYP2D6
SCHEMBL18623925 0.89 BACE1 (0.43) BACE1BACE2CYP2D6
SCHEMBL18623876 0.86 BACE1 (0.41) BACE1BACE2CYP2D6
SCHEMBL15904467 0.84 BACE1 (0.55) BACE1BACE2CYP2D6
SCHEMBL15904438 0.84 BACE1 (0.55) BACE1BACE2CYP2D6
SCHEMBL15904516 0.84 BACE1 (0.55) BACE1BACE2CYP2D6
SCHEMBL15904509 0.84 BACE1 (0.40) BACE1BACE2CYP2D6
SCHEMBL15662011 0.83 BACE1 (0.57) BACE1BACE2CYP2D6

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 6 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 disclosed
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
EP-2948446-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-12-02 EP disclosed
WO-2014114532-A1 FLUORO-[1,3]OXAZINES AS BACE1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-07-31 WO 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 1/4885BACE2 2/4885CYP2D6 916/4885

“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.