SCHEMBL13558908

SCHEMBL13558908

Bc1c(-c2ccc(F)c(C#N)c2)csc1[C@]1(C)CC(=O)N(C)C(=N)N1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.36
BACE2 Q9Y5Z0 2/20 0.36
AR P10275 1/20 0.35
PGR P06401 3/20 0.35
PLA2G7 Q13093 10/20 0.35
CYP3A4 P08684 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
SCHEMBL7552846 0.91 PLA2G7 (0.38) BACE1BACE2ARPGRPLA2G7
SCHEMBL7558429 0.90 BACE1 (0.37) BACE1BACE2ARPGRPLA2G7
SCHEMBL7569515 0.89 BACE1 (0.36) BACE1BACE2ARPGRPLA2G7
SCHEMBL7554707 0.89 BACE1 (0.36) BACE1BACE2ARPGRPLA2G7
SCHEMBL13081701 0.84 BACE1 (0.44) BACE1ARPGR
SCHEMBL13441641 0.83 BACE1 (0.38) BACE1BACE2ARPGRPLA2G7
SCHEMBL2969276 0.81 BACE1 (0.42) BACE1BACE2ARPGRPLA2G7
SCHEMBL2969275 0.81 BACE1 (0.42) BACE1BACE2ARPGRPLA2G7
SCHEMBL7541460 0.81 BACE1 (0.50) BACE1BACE2ARPGRPLA2G7
SCHEMBL7581282 0.80 PLA2G7 (0.38) BACE1BACE2ARPGRPLA2G7

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-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 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-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D BACE1 1/4885BACE2 29/4885AR 4760/4885

“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.