SCHEMBL5400906

SCHEMBL5400906

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCC1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.52
ATM Q13315 3/20 0.49
KMT2A Q03164 2/20 0.49
BACE1 P56817 2/20 0.48
CTSD P07339 1/20 0.48
BACE2 Q9Y5Z0 1/20 0.48
REN P00797 5/20 0.48
MEN1 O00255 1/20 0.47
BCHE P06276 1/20 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
SCHEMBL5400909 1.00 KLK5 (0.52) KLK5ATMKMT2ABACE1CTSD
SCHEMBL5386298 0.93 KLK5 (0.57) KLK5ATMKMT2ABACE1REN
SCHEMBL5386289 0.93 KLK5 (0.57) KLK5ATMKMT2ABACE1REN
SCHEMBL5220702 0.90 REN (0.58) KLK5ATMREN
SCHEMBL30318981 0.90 REN (0.58) KLK5ATMREN
SCHEMBL5391812 0.87 KLK5 (0.55) KLK5ATMBACE1CTSDBACE2
SCHEMBL5391805 0.87 KLK5 (0.55) KLK5ATMBACE1CTSDBACE2
SCHEMBL5217274 0.86 BACE1 (0.52) BACE1CTSDBACE2BCHE
SCHEMBL5217284 0.86 BACE1 (0.52) BACE1CTSDBACE2BCHE
SCHEMBL7309908 0.85 KLK5 (0.65) KLK5ATMBACE1BCHE

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 2 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
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 3361/4885ATM 870/4885KMT2A 300/4885

“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.