SCHEMBL13055097

SCHEMBL13055097

CN1C(=N)N[C@](C)(c2cccc(-c3cccc(C#N)c3)c2)[C@H](c2ccc(C(C)(C)C)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.41
BACE2 Q9Y5Z0 3/20 0.40
PGR P06401 4/20 0.38
CTSD P07339 3/20 0.38
PAX8 Q06710 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRM2 Q14416 1/20 0.33
BRD4 O60885 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL7540747 1.00 BACE1 (0.41) BACE1BACE2PGRCTSDPAX8
SCHEMBL7576035 0.94 BACE1 (0.36) BACE1BACE2PGRCTSDGRIN2B
SCHEMBL7544880 0.94 BACE1 (0.36) BACE1BACE2PGRCTSDGRIN2B
SCHEMBL7552507 0.92 BACE1 (0.40) BACE1BACE2PGRCTSDBRD4
SCHEMBL8211503 0.92 PGR (0.39) BACE1BACE2PGRAR
SCHEMBL7565952 0.92 PGR (0.39) BACE1BACE2PGRAR
SCHEMBL13054499 0.92 BACE1 (0.45) BACE1BACE2PGRCTSDBRD4
SCHEMBL8203038 0.92 PGR (0.39) BACE1BACE2PGRAR
SCHEMBL7580936 0.92 BACE1 (0.45) BACE1BACE2PGRCTSDBRD4
SCHEMBL13054039 0.92 BACE1 (0.40) BACE1BACE2PGRCTSDBRD4

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 BACE1 8/4885BACE2 30/4885PGR 1172/4885

“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.