SCHEMBL2884759

SCHEMBL2884759

C[C@@]1(c2cccc(C(N)=O)c2)CC(=O)NC(N)=N1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.64
PARP1 P09874 4/20 0.39
OPRM1 P35372 4/20 0.38
TDP2 O95551 1/20 0.38
BUB1 O43683 1/20 0.37
OPRK1 P41145 3/20 0.37
OPRD1 P41143 1/20 0.37
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL2884762 1.00 BACE1 (0.64) BACE1PARP1OPRM1TDP2BUB1
SCHEMBL2884765 0.82 BACE1 (0.73) BACE1
SCHEMBL4151265 0.80 BACE1 (0.69) BACE1
SCHEMBL12473828 0.79 BACE1 (0.40) BACE1OPRM1TDP2OPRK1OPRD1
SCHEMBL4142824 0.79 BACE1 (1.00) BACE1
SCHEMBL4152701 0.78 BACE1 (0.61) BACE1TDP2
SCHEMBL2888615 0.78 BACE1 (0.66) BACE1
SCHEMBL2888618 0.78 BACE1 (0.66) BACE1
SCHEMBL4146354 0.76 BACE1 (0.71) BACE1BUB1
SCHEMBL4134312 0.76 BACE1 (0.71) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
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

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 2/4885PARP1 2464/4885OPRM1 3386/4885

“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.