SCHEMBL5222976

SCHEMBL5222976

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.53
SCN9A Q15858 5/20 0.53
CTSD P07339 9/20 0.52
BACE1 P56817 9/20 0.52
BACE2 Q9Y5Z0 6/20 0.52
ATM Q13315 1/20 0.45
REN P00797 1/20 0.45

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
SCHEMBL5404137 1.00 KLK5 (0.53) KLK5SCN9ACTSDBACE1BACE2
SCHEMBL5404127 1.00 KLK5 (0.53) KLK5SCN9ACTSDBACE1BACE2
SCHEMBL5223062 0.94 BACE1 (0.56) KLK5SCN9ACTSDBACE1BACE2
SCHEMBL13307722 0.90 BACE1 (0.60) CTSDBACE1
SCHEMBL13307719 0.90 BACE1 (0.60) CTSDBACE1
SCHEMBL6185008 0.86 BACE1 (0.51) CTSDBACE1BACE2
SCHEMBL3357325 0.86 BACE1 (0.55) CTSDBACE1BACE2
SCHEMBL3357333 0.86 BACE1 (0.55) CTSDBACE1BACE2
SCHEMBL5928550 0.84 KLK5 (0.60) KLK5CTSDBACE1BACE2ATM
SCHEMBL5394031 0.83 KLK5 (0.51) KLK5SCN9ACTSDBACE1BACE2

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-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 KLK5 3361/4885SCN9A 2413/4885CTSD 384/4885

“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.