SCHEMBL13054511

SCHEMBL13054511

CN1C(=N)N[C@](C)(c2cccc(C#N)c2)[C@H](c2ccc(N(C)S(C)(=O)=O)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.37
BACE1 P56817 3/20 0.33
NR1H3 Q13133 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL7572682 1.00 PGR (0.37) PGRBACE1NR1H3BACE2
SCHEMBL7582359 0.90 PGR (0.36) PGRBACE1NR1H3
SCHEMBL13054721 0.87 BACE1 (0.39) PGRBACE1BACE2
SCHEMBL7574530 0.87 BACE1 (0.39) PGRBACE1BACE2
SCHEMBL14105454 0.86 GRIA2 (0.31)
SCHEMBL14105431 0.86 GRIA2 (0.31)
SCHEMBL8414498 0.84 BACE1 (0.37) PGRBACE1BACE2
SCHEMBL7564419 0.84 BACE1 (0.37) PGRBACE1BACE2
SCHEMBL13054247 0.84 BACE1 (0.39) PGRBACE1BACE2
SCHEMBL7557016 0.84 BACE1 (0.39) PGRBACE1BACE2

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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 US disclosed
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 PGR 1172/4885BACE1 8/4885NR1H3 1398/4885

“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.