SCHEMBL3900951

SCHEMBL3900951

CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H]([CH]CNC2CCCCC2)Cc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.63
APP P05067 3/20 0.47
CTSD P07339 5/20 0.46
BACE2 Q9Y5Z0 4/20 0.46

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
SCHEMBL3900953 0.83 BACE1 (0.64) BACE1APPCTSDBACE2
SCHEMBL5344469 0.82 BACE1 (0.91) BACE1CTSDBACE2
SCHEMBL5352154 0.82 BACE1 (0.91) BACE1CTSDBACE2
SCHEMBL5353223 0.78 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL3903015 0.77 BACE1 (0.61) BACE1APPCTSDBACE2
SCHEMBL5069586 0.76 BACE1 (0.59) BACE1APPCTSDBACE2
SCHEMBL5069591 0.76 BACE1 (0.59) BACE1APPCTSDBACE2
SCHEMBL3417519 0.75 BACE1 (0.54) BACE1APPCTSDBACE2
SCHEMBL6102906 0.75 BACE1 (0.64) BACE1APPCTSDBACE2
SCHEMBL6102913 0.75 BACE1 (0.64) BACE1APPCTSDBACE2

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-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 US claimed
US-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 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-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE BACE1 26/4885APP 17/4885CTSD 1109/4885

“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.