SCHEMBL5379396

SCHEMBL5379396

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@]12CC[C@H](CC1)C2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.54
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
ATM Q13315 1/20 0.46
REN P00797 5/20 0.46
DPP8 Q6V1X1 1/20 0.45
DPP9 Q86TI2 1/20 0.45
APP P05067 1/20 0.44
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL5379400 1.00 KLK5 (0.54) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5379391 1.00 KLK5 (0.54) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5391627 0.90 KLK5 (0.53) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5225871 0.81 KLK5 (0.57) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5928550 0.80 KLK5 (0.60) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7877924 0.80 KLK5 (0.52) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL7309908 0.80 KLK5 (0.65) KLK5PSEN1PSEN2APH1BNCSTN
SCHEMBL5386289 0.79 KLK5 (0.57) KLK5ATMREN
SCHEMBL5386298 0.79 KLK5 (0.57) KLK5ATMREN
SCHEMBL5223543 0.79 KLK5 (0.57) KLK5PSEN1PSEN2APH1BNCSTN

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 3361/4885PSEN1 4/4885PSEN2 2/4885

“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.