SCHEMBL5386844

SCHEMBL5386844

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CNCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.57
BCHE P06276 2/20 0.57
KLK5 Q9Y337 2/20 0.52
CTSD P07339 10/20 0.50
BACE2 Q9Y5Z0 9/20 0.50
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL5386841 1.00 BACE1 (0.57) BACE1BCHEKLK5CTSDBACE2
SCHEMBL716159 0.90 BACE1 (0.69) BACE1BCHEKLK5CTSDBACE2
SCHEMBL715055 0.90 BACE1 (0.69) BACE1BCHEKLK5CTSDBACE2
SCHEMBL5388537 0.88 KLK5 (0.59) BACE1BCHEKLK5ATM
SCHEMBL5388531 0.88 KLK5 (0.59) BACE1BCHEKLK5ATM
SCHEMBL495755 0.88 KLK5 (0.59) BACE1BCHEKLK5ATM
SCHEMBL5399275 0.86 BCHE (0.57) BACE1BCHEKLK5CTSD
SCHEMBL5399270 0.86 BCHE (0.57) BACE1BCHEKLK5CTSD
SCHEMBL8066182 0.85 BACE1 (0.61) BACE1BCHEKLK5CTSDBACE2
SCHEMBL24562807 0.84 ATM (0.55) BACE1BCHEKLK5CTSDBACE2

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 BACE1 3/4885BCHE 11/4885KLK5 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.