SCHEMBL5380149

SCHEMBL5380149

COc1cccc(CNC[C@H](O)[C@@H](Cc2ccccc2)c2ccccc2C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.57
BACE1 P56817 12/20 0.56
CTSD P07339 10/20 0.55
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
Hydrochloric Acid SCHEMBL5382958 0.99 BCHE (0.56) BCHEBACE1CTSDMEN1KMT2A
SCHEMBL5388960 0.88 BACE1 (0.55) BCHEBACE1CTSD
SCHEMBL5395709 0.86 BCHE (0.50) BCHEBACE1CTSDMEN1KMT2A
SCHEMBL3508049 0.85 BACE1 (0.54) BCHEBACE1CTSD
SCHEMBL5383209 0.82 CTSD (0.56) CTSD
SCHEMBL3352384 0.82 BACE1 (0.65) BACE1CTSD
SCHEMBL5400476 0.82 BACE1 (0.58) BCHEBACE1CTSD
SCHEMBL4214871 0.79 BCHE (0.61) BCHEBACE1CTSDMEN1KMT2A
SCHEMBL165644 0.79 BCHE (0.61) BCHEBACE1CTSDMEN1KMT2A
SCHEMBL5350003 0.79 BACE1 (0.70) 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.