SCHEMBL4907965

SCHEMBL4907965

CCC(Cn1nc(C)cc1C)C(=O)NC(CC(N)=O)C(=O)NC(CC(C)C)C(O)CC(C)C(=O)NC(C(=O)NCC(C)C)C(C)C

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.76
CTSD P07339 3/20 0.60
BACE2 Q9Y5Z0 2/20 0.60

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
SCHEMBL4912388 0.93 BACE1 (0.81) BACE1CTSDBACE2
SCHEMBL3377055 0.91 BACE1 (0.83) BACE1CTSDBACE2
SCHEMBL3377063 0.91 BACE1 (0.83) BACE1CTSDBACE2
SCHEMBL14271243 0.90 BACE1 (0.87) BACE1CTSDBACE2
SCHEMBL14271247 0.89 BACE1 (0.87) BACE1CTSDBACE2
SCHEMBL14271248 0.88 BACE1 (0.74) BACE1CTSDBACE2
SCHEMBL4898948 0.87 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL4905079 0.87 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL13496328 0.87 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL4912774 0.85 BACE1 (0.81) BACE1CTSDBACE2

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-20080125467-A1 Amino-Containing Compounds Which Inhibit Memapsin 2 Beta-Secretase Activity and Methods of Use Thereof COMENTIS, INC. 2008-05-29 US claimed
EP-1799660-A2 AMINO-CONTAINING COMPOUNDS WHICH INHIBIT MEMAPSIN 2 BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2007-06-27 EP disclosed
WO-2006034296-A2 AMINO-CONTAINING COMPOUNDS WHICH INHIBIT MEMAPSIN 2 BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-03-30 WO 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-20080125467-A1 Amino-Containing Compounds Which Inhibit Memapsin 2 Beta-Secretase Activity and Methods of Use Thereof BACE2, BACE1, PSEN2 BACE1 2/4885CTSD 245/4885BACE2 1/4885

“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.