SCHEMBL6925068

SCHEMBL6925068

C[C@@]1(c2cc(NC(=O)C(F)C(F)(F)F)ccc2F)COCC(N)=N1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.65
BACE2 Q9Y5Z0 5/20 0.62
APP P05067 1/20 0.61

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
SCHEMBL1174057 0.90 BACE1 (0.69) BACE1BACE2APP
SCHEMBL1174061 0.90 BACE1 (0.69) BACE1BACE2APP
SCHEMBL1173581 0.89 BACE1 (0.68) BACE1BACE2APP
SCHEMBL1173578 0.89 BACE1 (0.68) BACE1BACE2APP
SCHEMBL1173335 0.88 BACE1 (0.69) BACE1BACE2APP
SCHEMBL1173333 0.88 BACE1 (0.69) BACE1BACE2APP
Formic Acid SCHEMBL1173309 0.86 BACE1 (0.65) BACE1BACE2APP
SCHEMBL1173272 0.86 BACE1 (0.65) BACE1BACE2APP
SCHEMBL1173276 0.86 BACE1 (0.65) BACE1BACE2APP
Formic Acid SCHEMBL1173302 0.86 BACE1 (0.65) BACE1BACE2APP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2013-08-01 US disclosed
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES ANDREINI MATTEO (IT) 2012-08-23 US disclosed
US-8188079-B2 3-amino-5-phenyl-5,6-dihydro-2H-[1,4]oxazines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
WO-2011020806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-02-24 WO disclosed
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES SIENA BIOTECH S.P.A. (IT) 2011-02-24 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 (3 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-20130196984-A1 3-AMINO-5-PHENYL-56-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885APP 3/4885
US-20120214806-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885APP 3/4885
US-20110046122-A1 3-AMINO-5-PHENYL-5,6-DIHYDRO-2H-[1,4]OXAZINES BACE2, BACE1, APP BACE1 2/4885BACE2 1/4885APP 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.