SCHEMBL7602525

SCHEMBL7602525

CN1C(=N)N[C@](C)(c2ccc(-c3cccc(I)c3)s2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.43

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
SCHEMBL8267807 0.87 BACE1 (0.47) BACE1
SCHEMBL7534765 0.87 BACE1 (0.43) BACE1
SCHEMBL7536894 0.85 BACE1 (0.43) BACE1
SCHEMBL7537006 0.85 BACE1 (0.61) BACE1
SCHEMBL7536594 0.83 BACE1 (0.40) BACE1
SCHEMBL8198960 0.82 CYP2A6 (0.41) BACE1
SCHEMBL13081688 0.82
SCHEMBL7539447 0.81 BACE1 (0.36) BACE1
SCHEMBL13663871 0.81 BACE1 (0.39) BACE1
SCHEMBL7562778 0.81 BACE1 (0.37) 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-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-7700603-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2010-04-20 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 8/4885

“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.