SCHEMBL1976786

SCHEMBL1976786

CC[C@@]1(c2cc(NC(=O)c3ccccn3)ccc2F)CCOC(N)=N1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.64
BACE2 Q9Y5Z0 10/20 0.64
CYP2D6 P10635 1/20 0.55

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
SCHEMBL1977400 0.87 BACE1 (0.75) BACE1BACE2CYP2D6
SCHEMBL1976282 0.87 BACE1 (0.78) BACE1BACE2CYP2D6
SCHEMBL16175549 0.86 BACE1 (0.49) BACE1BACE2CYP2D6
SCHEMBL1976794 0.84 BACE1 (0.60) BACE1BACE2CYP2D6
SCHEMBL12847139 0.84 BACE1 (0.61) BACE1BACE2
SCHEMBL15705165 0.84 BACE1 (0.77) BACE1BACE2
SCHEMBL1977128 0.83 BACE1 (0.66) BACE1BACE2CYP2D6
SCHEMBL1980301 0.83 BACE1 (0.77) BACE1BACE2CYP2D6
SCHEMBL1977436 0.82 BACE1 (0.55) BACE1BACE2CYP2D6
SCHEMBL1977185 0.81 BACE1 (0.56) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964594-B1 Amino oxazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US claimed
US-20110144098-A1 AMINO OXAZINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-16 US claimed
EP-2509966-B1 AMINO OXAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-22 EP disclosed
US-7964594-B1 Amino oxazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964594-B1 Amino oxazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964594-B1 Amino oxazine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
WO-2011070029-A1 AMINO OXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 WO disclosed
US-20110144098-A1 AMINO OXAZINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-16 US disclosed
US-20110144098-A1 AMINO OXAZINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2011-06-16 US disclosed
US-20110144098-A1 AMINO OXAZINE DERIVATIVES HOFFMANN-LA ROCHE, INC. 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-20110144098-A1 AMINO OXAZINE DERIVATIVES BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 1/4885CYP2D6 187/4885

“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.