SCHEMBL286944

SCHEMBL286944

CC1(c2cccc(N)c2)CC(=O)N(CC2CC2)C(N)=N1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.47
BACE2 Q9Y5Z0 1/20 0.40
CTSD P07339 3/20 0.39
REN P00797 1/20 0.39
CTSE P14091 1/20 0.38

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
SCHEMBL286943 1.00 BACE1 (0.47) BACE1BACE2CTSDRENCTSE
SCHEMBL10198055 0.90 BACE1 (0.41) BACE1BACE2
SCHEMBL2890275 0.86 OPRM1 (0.49) BACE1BACE2CTSDREN
SCHEMBL2890273 0.86 OPRM1 (0.49) BACE1BACE2CTSDREN
SCHEMBL2884782 0.85 BACE1 (0.51) BACE1BACE2CTSDREN
SCHEMBL2885533 0.81 BACE1 (0.53) BACE1BACE2CTSDREN
SCHEMBL2888620 0.79 BACE1 (0.74) BACE1CTSD
SCHEMBL568642 0.79 BACE1 (0.38) BACE1BACE2CTSDREN
SCHEMBL10267108 0.78 BACE1 (0.46) BACE1BACE2CTSDREN
SCHEMBL297495 0.77 BACE1 (0.74) BACE1

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-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
EP-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP 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

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 1/4885CTSD 188/4885

“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.