SCHEMBL14788018

SCHEMBL14788018

C[C@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)O[C@@H]2CC(F)(F)C[C@@H]21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 1.00
BACE2 Q9Y5Z0 2/20 0.69
CYP2D6 P10635 1/20 0.68

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
SCHEMBL14788016 0.90 BACE1 (0.81) BACE1BACE2
SCHEMBL17815361 0.88 BACE1 (0.79) BACE1BACE2CYP2D6
SCHEMBL17815343 0.88 BACE1 (0.79) BACE1BACE2CYP2D6
SCHEMBL17815403 0.88 BACE1 (0.79) BACE1BACE2CYP2D6
SCHEMBL11917948 0.88 BACE1 (0.79) BACE1BACE2CYP2D6
SCHEMBL22990839 0.88 BACE1 (0.79) BACE1BACE2CYP2D6
SCHEMBL14788056 0.88 BACE1 (0.83) BACE1
SCHEMBL14787973 0.88 BACE1 (0.83) BACE1
SCHEMBL17815345 0.86 BACE1 (0.76) BACE1BACE2CYP2D6
SCHEMBL16709923 0.85 BACE1 (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476264-B2 N-(3-(2-amino-6,6-difluoro-4,4A,5,6,7,7A-hexahydro-cyclopenta[E][1,3]oxazin-4-yl)-phenylamides as BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-07-02 US disclosed
US-8476264-B2 N-(3-(2-amino-6,6-difluoro-4,4A,5,6,7,7A-hexahydro-cyclopenta[E][1,3]oxazin-4-yl)-phenylamides as BACE1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-07-02 US disclosed
US-20130072478-A1 N-(3-(2-AMINO-6,6-DIFLUORO-4,4A,5,6,7,7A-HEXAHYDRO-CYCLOPENTA[E][1,3]OXAZIN-4-YL)-PHENYL-AMIDES AS BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-21 US disclosed
US-20130072478-A1 N-(3-(2-AMINO-6,6-DIFLUORO-4,4A,5,6,7,7A-HEXAHYDRO-CYCLOPENTA[E][1,3]OXAZIN-4-YL)-PHENYL-AMIDES AS BACE1 INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-21 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-20130072478-A1 N-(3-(2-AMINO-6,6-DIFLUORO-4,4A,5,6,7,7A-HEXAHYDRO-CYCLOPENTA[E][1,3]OXAZIN-4-YL)-PHENYL-AMIDES AS BACE1 INHIBITORS BACE1, BACE2, PSEN1 BACE1 1/4885BACE2 2/4885CYP2D6 212/4885

“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.