SCHEMBL1973409

SCHEMBL1973409

CC1(C)OC(N)=N[C@](C)(c2cc(NC(=O)c3ncc(C(F)(F)F)cc3Cl)ccc2F)C1(F)F

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.69
BACE2 Q9Y5Z0 9/20 0.65
APP P05067 2/20 0.56
CTSD P07339 1/20 0.55
CYP2D6 P10635 1/20 0.53

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
Hydrochloric Acid SCHEMBL1973950 0.99 BACE1 (0.68) BACE1BACE2APPCTSDCYP2D6
SCHEMBL1974713 0.91 BACE1 (0.73) BACE1BACE2APPCTSDCYP2D6
SCHEMBL1973617 0.91 BACE1 (0.73) BACE1BACE2APPCTSDCYP2D6
Hydrochloric Acid SCHEMBL1976066 0.90 BACE1 (0.72) BACE1BACE2APPCTSDCYP2D6
Hydrochloric Acid SCHEMBL1975785 0.90 BACE1 (0.72) BACE1BACE2APPCTSDCYP2D6
SCHEMBL1973667 0.88 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL1973232 0.88 BACE1 (0.67) BACE1BACE2CTSD
SCHEMBL1980007 0.87 BACE1 (0.68) BACE1BACE2APPCYP2D6
SCHEMBL1975396 0.87 BACE1 (0.60) BACE1BACE2CTSD
Hydrochloric Acid SCHEMBL1981515 0.87 BACE1 (0.67) BACE1BACE2APPCYP2D6

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
WO-2011069934-A1 2-AMINO-5, 5-DIFLUORO-5, 6-DIHYDRO-4H-OXAZINES AS BACE 1 AND/OR BACE 2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO claimed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US claimed
US-8389513-B2 2-amino-5,5-difluoro-5,6-dihydro-4H-[1,3]oxazin-4-yl)-phenyl]-amides HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
US-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (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-20110144097-A1 2-AMINO-5,5-DIFLUORO-5,6-DIHYDRO-4H-[1,3]OXAZIN-4-YL)-PHENYL]-AMIDES 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.