SCHEMBL5379243

SCHEMBL5379243

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.51
ATM Q13315 1/20 0.45
BACE1 P56817 2/20 0.44
CTSD P07339 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
APP P05067 1/20 0.43
REN P00797 4/20 0.43
SCN9A Q15858 1/20 0.43
VIPR2 P41587 3/20 0.42
BCHE P06276 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
SCHEMBL5379247 1.00 KLK5 (0.51) KLK5ATMBACE1CTSDBACE2
SCHEMBL5394031 1.00 KLK5 (0.51) KLK5ATMBACE1CTSDBACE2
SCHEMBL5394038 1.00 KLK5 (0.51) KLK5ATMBACE1CTSDBACE2
SCHEMBL13307725 0.90 BACE1 (0.48) BACE1CTSD
SCHEMBL13307727 0.90 BACE1 (0.48) BACE1CTSD
SCHEMBL7612578 0.87 VIPR2 (0.47) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL7612571 0.87 VIPR2 (0.47) BACE1PSEN1PSEN2APH1BNCSTN
SCHEMBL6362854 0.84 VIPR2 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6362856 0.84 VIPR2 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9565591 0.84 VIPR2 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A

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 870/4885BACE1 3/4885

“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.