SCHEMBL2890508

SCHEMBL2890508

C[C@H]1C(=O)N(C)C(NC(=O)OC(C)(C)C)=N[C@]1(C)c1cccc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.40
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
BACE2 Q9Y5Z0 2/20 0.33
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
CCKBR P32239 2/20 0.32
SCN9A Q15858 1/20 0.32
PARP1 P09874 1/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
SYK P43405 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
MAP4K4 O95819 1/20 0.31

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
SCHEMBL300194 0.90 BACE1 (0.39) BACE1HCRTR1HCRTR2BACE2CCKBR
SCHEMBL297609 0.86 MAPT (0.44) BACE1HCRTR1HCRTR2CCKBR
SCHEMBL286692 0.80 BACE1 (0.43) BACE1HCRTR1HCRTR2BACE2CCKBR
SCHEMBL286691 0.80 BACE1 (0.43) BACE1HCRTR1HCRTR2BACE2CCKBR
SCHEMBL299154 0.79 BACE1 (0.47) BACE1HCRTR1HCRTR2BACE2
SCHEMBL299155 0.79 BACE1 (0.47) BACE1HCRTR1HCRTR2BACE2
SCHEMBL297672 0.76 MAPT (0.42) BACE1CCKBR
SCHEMBL2884694 0.76 BACE1 (0.41) BACE1BACE2PRMT5WDR77
SCHEMBL287446 0.75 BACE1 (0.41) BACE1HCRTR1HCRTR2BACE2
SCHEMBL287445 0.75 BACE1 (0.41) 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 2 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-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.