SCHEMBL1977772

SCHEMBL1977772

C[C@]1(c2cc(NC(=O)c3ncc(F)cc3Cl)ccc2F)N=C(N)OCC12CC2

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.75
BACE2 Q9Y5Z0 15/20 0.75
CYP2D6 P10635 1/20 0.64
KCNH2 Q12809 1/20 0.57

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
SCHEMBL1977773 1.00 BACE1 (0.75) BACE1BACE2CYP2D6KCNH2
SCHEMBL1978489 0.94 BACE1 (0.82) BACE1BACE2CYP2D6KCNH2
SCHEMBL1978486 0.94 BACE1 (0.82) BACE1BACE2CYP2D6KCNH2
SCHEMBL1977573 0.92 BACE1 (0.67) BACE1BACE2
SCHEMBL1977572 0.92 BACE1 (0.67) BACE1BACE2
SCHEMBL1973954 0.90 BACE1 (0.88) BACE1BACE2
SCHEMBL1978934 0.90 BACE1 (0.70) BACE1BACE2CYP2D6
SCHEMBL1978932 0.90 BACE1 (0.70) BACE1BACE2CYP2D6
SCHEMBL1977532 0.89 BACE1 (0.82) BACE1BACE2CYP2D6KCNH2
SCHEMBL1976281 0.88 BACE1 (0.65) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509966-B1 AMINO OXAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-10-22 EP claimed
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
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-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.