SCHEMBL7859564

SCHEMBL7859564

CN1C(=O)C(O)[C@@](C)(c2cc(NC(=O)c3ccccn3)ccc2F)N=C1N

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.57
BACE2 Q9Y5Z0 8/20 0.57
GRM4 Q14833 3/20 0.48
KCNH2 Q12809 1/20 0.47
GRM1 Q13255 1/20 0.47

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
SCHEMBL297844 1.00 BACE1 (0.57) BACE1BACE2GRM4KCNH2GRM1
SCHEMBL286894 0.83 BACE2 (0.69) BACE1BACE2
SCHEMBL286697 0.81 BACE1 (0.65) BACE1BACE2KCNH2
SCHEMBL2890549 0.76 BACE1 (0.49) BACE1BACE2
SCHEMBL245831 0.76 BACE1 (0.77) BACE1BACE2KCNH2
SCHEMBL7861694 0.75 BACE1 (0.55) BACE1BACE2
SCHEMBL286547 0.75 BACE1 (0.55) BACE1BACE2
SCHEMBL2890546 0.75 BACE2 (0.41) BACE1BACE2
SCHEMBL2890547 0.75 BACE2 (0.41) BACE1BACE2
SCHEMBL18306691 0.73 BACE1 (0.64) BACE1BACE2

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-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 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-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 BACE1 2/4885BACE2 1/4885GRM4 3905/4885

“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.