SCHEMBL5050381

SCHEMBL5050381

CC(C)CNC(=O)C(NC(=O)C(C)CC(O)C(CC(C)C)NC(=O)c1cccc(C(=O)N(C)Cc2ccccc2)c1)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.69
APP P05067 3/20 0.58
BACE2 Q9Y5Z0 7/20 0.56
CTSD P07339 4/20 0.52
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5050489 0.93 BACE1 (0.62) BACE1APPBACE2CTSD
SCHEMBL5051606 0.91 BACE1 (0.60) BACE1APPBACE2CTSD
SCHEMBL5049165 0.91 BACE1 (0.60) BACE1APPBACE2CTSDMEN1
SCHEMBL5053737 0.88 BACE1 (0.61) BACE1APPBACE2CTSD
SCHEMBL5055381 0.88 BACE1 (0.73) BACE1BACE2CTSD
SCHEMBL5049151 0.88 BACE1 (0.65) BACE1APPBACE2CTSD
SCHEMBL5055360 0.87 BACE1 (0.59) BACE1APPBACE2CTSD
SCHEMBL5055378 0.87 BACE1 (0.56) BACE1APPBACE2CTSD
SCHEMBL5055396 0.86 BACE1 (0.57) BACE1APPBACE2CTSD
SCHEMBL5050545 0.85 BACE1 (0.55) BACE1APPBACE2CTSD

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-20080207527-A1 Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof COMENTIS, INC. (US) 2008-08-28 US claimed

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-20080207527-A1 Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof BACE1, BACE2, PSEN1 BACE1 1/4885APP 4/4885BACE2 2/4885

“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.