SCHEMBL7601952

SCHEMBL7601952

CN1C(=N)N[C@](C)(c2cccc(-c3ccc(F)c(C#N)c3)c2)C(c2ccc(C3CC3)cc2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.36
BACE1 P56817 10/20 0.34
AR P10275 1/20 0.34
PLA2G7 Q13093 4/20 0.33
BACE2 Q9Y5Z0 3/20 0.33
CYP3A4 P08684 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL8204909 1.00 PGR (0.36) PGRBACE1ARPLA2G7BACE2
SCHEMBL12174414 1.00 PGR (0.36) PGRBACE1ARPLA2G7BACE2
SCHEMBL13558872 0.87 BACE1 (0.33) BACE1BACE2
SCHEMBL7559867 0.87 BACE1 (0.44) PGRBACE1ARBACE2
SCHEMBL13054227 0.87 BACE1 (0.44) PGRBACE1ARBACE2
SCHEMBL12174164 0.87 BACE1 (0.44) PGRBACE1ARBACE2
SCHEMBL8211797 0.86 BACE1 (0.40) PGRBACE1ARBACE2
SCHEMBL7558496 0.86 BACE1 (0.40) PGRBACE1ARBACE2
SCHEMBL13054166 0.86 PGR (0.39) PGRBACE1ARBACE2
SCHEMBL7571041 0.86 PGR (0.39) PGRBACE1ARBACE2

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-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 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 8/4885AR 4122/4885

“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.