SCHEMBL4559929

SCHEMBL4559929

Cc1cc(-c2csc([C@]3(C)CC(=O)N(C)C(=N)N3)c2)ncn1

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.37

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
SCHEMBL7574304 0.90 BACE1 (0.36) BACE1
SCHEMBL8414776 0.86 BACE1 (0.38) BACE1
SCHEMBL4549190 0.86 BACE1 (0.41) BACE1
SCHEMBL4557055 0.85 BACE1 (0.39) BACE1
SCHEMBL4560087 0.83 BACE1 (0.39) BACE1
SCHEMBL7605308 0.82 BACE1 (0.40) BACE1
SCHEMBL7584120 0.81 BACE1 (0.42) BACE1
SCHEMBL7542442 0.79 BACE1 (0.38) BACE1
SCHEMBL7604691 0.79 BACE1 (0.40) BACE1
SCHEMBL8191277 0.79 BACE1 (0.41) BACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 US disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 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 (2 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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 BACE1 3/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 BACE1 3/4885

“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.