SCHEMBL5388630

SCHEMBL5388630

COc1cccc(CNC[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2F)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.67
BACE1 P56817 15/20 0.64
CTSD P07339 8/20 0.64

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
SCHEMBL5388627 1.00 BCHE (0.67) BCHEBACE1CTSD
SCHEMBL5220675 0.89 BCHE (0.68) BCHEBACE1CTSD
SCHEMBL5219263 0.89 BCHE (0.68) BCHEBACE1CTSD
SCHEMBL5380143 0.87 BACE1 (0.77) BCHEBACE1CTSD
SCHEMBL4360887 0.87 BACE1 (0.74) BCHEBACE1CTSD
SCHEMBL3350025 0.86 BACE1 (0.77) BACE1CTSD
SCHEMBL3350014 0.86 BACE1 (0.77) BACE1CTSD
Hydrochloric Acid SCHEMBL5382955 0.86 BACE1 (0.75) BCHEBACE1CTSD
SCHEMBL3354210 0.86 BCHE (0.77) BCHEBACE1CTSD
SCHEMBL6896962 0.86 BCHE (0.77) BCHEBACE1CTSD

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 3/4885CTSD 384/4885

“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.