SCHEMBL5400920

SCHEMBL5400920

COc1ccccc1CCNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.57
BACE1 P56817 2/20 0.56
KLK5 Q9Y337 3/20 0.54
ITGA4 P13612 1/20 0.50
ITGB7 P26010 1/20 0.50
ATM Q13315 1/20 0.48
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
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
APP P05067 1/20 0.44

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
SCHEMBL5400915 1.00 BCHE (0.57) BCHEBACE1KLK5ITGA4ITGB7
SCHEMBL5386450 0.93 BCHE (0.52) BCHEBACE1KLK5ITGA4ITGB7
SCHEMBL5386446 0.93 BCHE (0.52) BCHEBACE1KLK5ITGA4ITGB7
SCHEMBL30318977 0.90 BCHE (0.70) BCHEBACE1KLK5ITGA4ITGB7
SCHEMBL5389163 0.88 KLK5 (0.53) BCHEBACE1KLK5ATMPSEN1
SCHEMBL5389160 0.88 KLK5 (0.53) BCHEBACE1KLK5ATMPSEN1
SCHEMBL495755 0.88 KLK5 (0.59) BCHEBACE1KLK5ATMPSEN1
SCHEMBL5388531 0.88 KLK5 (0.59) BCHEBACE1KLK5ATMPSEN1
SCHEMBL5388537 0.88 KLK5 (0.59) BCHEBACE1KLK5ATMPSEN1
SCHEMBL5385506 0.87 KLK5 (0.52) BCHEBACE1KLK5ATMPSEN1

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 BCHE 11/4885BACE1 3/4885KLK5 3361/4885

“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.