SCHEMBL5222884

SCHEMBL5222884

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.59
BACE1 P56817 6/20 0.54
CTSD P07339 1/20 0.54
BACE2 Q9Y5Z0 1/20 0.54
REN P00797 7/20 0.54
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL5222893 1.00 KLK5 (0.59) KLK5BACE1CTSDBACE2REN
SCHEMBL6205577 1.00 KLK5 (0.59) KLK5BACE1CTSDBACE2REN
SCHEMBL5221574 0.97 KLK5 (0.60) KLK5BACE1CTSDBACE2REN
SCHEMBL5221580 0.97 KLK5 (0.60) KLK5BACE1CTSDBACE2REN
SCHEMBL5928550 0.95 KLK5 (0.60) KLK5BACE1CTSDBACE2REN
SCHEMBL5391805 0.90 KLK5 (0.55) KLK5BACE1CTSDBACE2REN
SCHEMBL5391812 0.90 KLK5 (0.55) KLK5BACE1CTSDBACE2REN
SCHEMBL5390340 0.90 KLK5 (0.55) KLK5BACE1CTSDBACE2ATM
SCHEMBL5388974 0.90 KLK5 (0.55) KLK5BACE1CTSDBACE2REN
SCHEMBL5390332 0.90 KLK5 (0.55) KLK5BACE1CTSDBACE2ATM

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 8 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-20060211740-A1 Novel compounds GLAXO GROUP LIMITED 2006-09-21 US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 US disclosed
EP-1611089-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-01-04 EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 WO disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 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 (2 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 3361/4885BACE1 3/4885CTSD 384/4885
US-20060211740-A1 Novel compounds BACE2, BACE1, PSEN2 KLK5 3536/4885BACE1 2/4885CTSD 366/4885

“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.