SCHEMBL7569672

SCHEMBL7569672

CN1C(=N)NC(C)(c2ccc(-c3cc(F)cc(C#N)c3)s2)[C@H](c2ccc(C3CC3)cc2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.35
PGR P06401 14/20 0.35
AR P10275 2/20 0.33
FADS1 O60427 1/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL8214458 1.00 BACE1 (0.35) BACE1PGRARFADS1NR3C1
SCHEMBL7550606 1.00 BACE1 (0.35) BACE1PGRARFADS1NR3C1
SCHEMBL12174326 0.93 BACE1 (0.37) BACE1PGRARFADS1NR3C1
SCHEMBL13054616 0.88 BACE1 (0.47) BACE1PGR
SCHEMBL7567475 0.88 BACE1 (0.47) BACE1PGR
SCHEMBL7576231 0.87 BACE1 (0.42) BACE1PGRARFADS1NR3C1
SCHEMBL13054166 0.83 PGR (0.39) BACE1PGRARFADS1NR3C1
SCHEMBL7571041 0.83 PGR (0.39) BACE1PGRARFADS1NR3C1
SCHEMBL7564963 0.81 BACE1 (0.37) BACE1PGRCYP3A4
SCHEMBL7547710 0.81 PGR (0.36) BACE1PGRARFADS1NR3C1

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 4 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-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
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 8/4885PGR 1172/4885AR 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.