SCHEMBL287446

SCHEMBL287446

CCC1(c2cccc(N)c2)CC(=O)N(C)C(NC(=O)OC(C)(C)C)=N1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.41
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CNR2 P34972 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.32

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
SCHEMBL287445 1.00 BACE1 (0.41) BACE1HCRTR1HCRTR2CNR2BACE2
SCHEMBL297851 0.93 BACE1 (0.40) BACE1HCRTR1HCRTR2CNR2BACE2
SCHEMBL297852 0.93 BACE1 (0.40) BACE1HCRTR1HCRTR2CNR2BACE2
SCHEMBL296639 0.85 MAPT (0.42) BACE1HCRTR1HCRTR2
SCHEMBL296638 0.85 MAPT (0.42) BACE1HCRTR1HCRTR2
SCHEMBL299155 0.85 BACE1 (0.47) BACE1HCRTR1HCRTR2BACE2
SCHEMBL299154 0.85 BACE1 (0.47) BACE1HCRTR1HCRTR2BACE2
SCHEMBL568651 0.79 MAPT (0.41) BACE1
SCHEMBL568652 0.79 MAPT (0.41) BACE1
SCHEMBL287405 0.78 BACE1 (0.40) BACE1HCRTR1HCRTR2BACE2

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 2/4885HCRTR1 807/4885HCRTR2 466/4885

“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.