SCHEMBL5221014

SCHEMBL5221014

CCn1ncc2c(N3CCCS3(=O)=O)cc(C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CNC(C)(C)CCCC(C)C)cc21

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 17/20 0.63
BACE1 P56817 17/20 0.63
BACE2 Q9Y5Z0 17/20 0.63

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
SCHEMBL5221027 0.94 CTSD (0.58) CTSDBACE1BACE2
SCHEMBL5221021 0.94 CTSD (0.58) CTSDBACE1BACE2
SCHEMBL5219996 0.88 BACE1 (0.64) CTSDBACE1BACE2
SCHEMBL5221378 0.88 BACE1 (0.55) CTSDBACE1BACE2
SCHEMBL5220002 0.86 BACE1 (0.67) CTSDBACE1BACE2
SCHEMBL5223975 0.85 CTSD (0.65) CTSDBACE1BACE2
SCHEMBL5220783 0.84 CTSD (0.64) CTSDBACE1
SCHEMBL5218450 0.83 BACE1 (0.61) CTSDBACE1BACE2
SCHEMBL5217947 0.83 BACE1 (0.75) CTSDBACE1BACE2
SCHEMBL5220071 0.83 BACE1 (0.65) CTSDBACE1BACE2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US claimed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP claimed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US claimed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 CTSD 384/4885BACE1 3/4885BACE2 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.