SCHEMBL2885529

SCHEMBL2885529

C[C@]1(c2cccc(C(N)=O)c2)CC(=O)N(Cc2ccccc2)C(N)=N1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.60
BACE1 P56817 6/20 0.60
CTSD P07339 3/20 0.60
OPRM1 P35372 3/20 0.48
OPRK1 P41145 3/20 0.48
OPRD1 P41143 2/20 0.44
BACE2 Q9Y5Z0 2/20 0.43
CTSE P14091 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL2885527 1.00 REN (0.60) RENBACE1CTSDOPRM1OPRK1
SCHEMBL2884778 0.87 BACE1 (0.48) RENBACE1CTSDOPRM1OPRK1
SCHEMBL2884780 0.87 BACE1 (0.48) RENBACE1CTSDOPRM1OPRK1
SCHEMBL2885533 0.86 BACE1 (0.53) RENBACE1CTSDBACE2
SCHEMBL4142501 0.85 BACE1 (0.64) RENBACE1CTSDBACE2
SCHEMBL4141529 0.84 BACE1 (0.51) RENBACE1CTSDBACE2
SCHEMBL2890275 0.83 OPRM1 (0.49) RENBACE1CTSDOPRM1OPRK1
SCHEMBL2890273 0.83 OPRM1 (0.49) RENBACE1CTSDOPRM1OPRK1
SCHEMBL2888618 0.81 BACE1 (0.66) BACE1CTSD
SCHEMBL2888615 0.81 BACE1 (0.66) BACE1CTSD

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 REN 40/4885BACE1 2/4885CTSD 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.