SCHEMBL13055313

SCHEMBL13055313

CN1C(=N)N[C@](C)(c2ccc(-c3cncc(C#N)c3)s2)[C@H](C2CC2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.42
BACE2 Q9Y5Z0 3/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CTSD P07339 1/20 0.32
PRF1 P14222 1/20 0.32
CHEK1 O14757 1/20 0.31
NPY5R Q15761 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
SCHEMBL7564659 1.00 BACE1 (0.42) BACE1BACE2CTSSCTSKGSK3B
SCHEMBL8203163 0.90 BACE1 (0.40) BACE1
SCHEMBL13054232 0.90 BACE1 (0.40) BACE1
SCHEMBL7564906 0.90 BACE1 (0.40) BACE1
SCHEMBL7564105 0.88 BACE1 (0.50) BACE1BACE2CTSDPRF1CHEK1
SCHEMBL7558875 0.88 BACE1 (0.50) BACE1BACE2CTSDPRF1CHEK1
SCHEMBL14106314 0.86 BACE1 (0.41) BACE1
SCHEMBL7570695 0.86 BACE1 (0.37) BACE1
SCHEMBL7600381 0.86 BACE1 (0.41) BACE1BACE2
SCHEMBL13081710 0.86 BACE1 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885BACE2 30/4885CTSS 7/4885

“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.