SCHEMBL10074532

SCHEMBL10074532

[C-]#[N+]c1cccc(-c2cccc(C3(C)NC(=N)N(C)C(=O)N3C)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.34
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL8244815 0.83 PGR (0.35) BACE1
SCHEMBL8247352 0.82 BACE1 (0.48) BACE1
SCHEMBL10074533 0.82 BACE1 (0.42) BACE1
SCHEMBL8244505 0.81 BACE1 (0.43) BACE1
SCHEMBL8238800 0.81 NR1H2 (0.37) BACE1
SCHEMBL10084447 0.80 BACE1 (0.48) BACE1
SCHEMBL10074528 0.78 HCAR3 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL13238187 0.75 BACE1 (0.41) BACE1SLC6A2SLC6A4SLC6A3
SCHEMBL13238191 0.74 BACE1 (0.38) BACE1SLC6A2SLC6A4SLC6A3
SCHEMBL9961915 0.74 BACE1 (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110682-B2 Preparation and use of compounds as aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-02-07 US disclosed
US-20070010667-A1 Preparation and use of compounds as aspartyl protease inhibitors SCHERING CORPORATION 2007-01-11 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-20070010667-A1 Preparation and use of compounds as aspartyl protease inhibitors PRSS1, CTSS, CTSL BACE1 11/4885SLC6A2 3750/4885SLC6A4 3235/4885

“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.