SCHEMBL5404358

SCHEMBL5404358

CC(C)(C)NC(=O)O[C@@H](Cc1ccccc1)[C@@H](O)CNCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.43
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
OPRK1 P41145 1/20 0.40
SLC6A4 P31645 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL5404351 1.00 BCHE (0.43) BCHECTSDBACE1BACE2OPRK1
SCHEMBL6185480 0.86 BCHE (0.45) BCHECTSD
SCHEMBL5393871 0.81 OPRM1 (0.45) OPRK1SLC6A4NPC1RAB9ASCN9A
SCHEMBL5393866 0.81 OPRM1 (0.45) OPRK1SLC6A4NPC1RAB9ASCN9A
SCHEMBL7312407 0.80 BCHE (0.49) BCHEBACE1
SCHEMBL28837747 0.78 SCN9A (0.47) OPRK1NPC1RAB9ASCN9A
SCHEMBL28837742 0.78 SCN9A (0.47) OPRK1NPC1RAB9ASCN9A
SCHEMBL30318981 0.78 REN (0.58)
SCHEMBL5220702 0.78 REN (0.58)
SCHEMBL27625580 0.78 BCHE (0.41) BCHEBACE1OPRK1SCN9A

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 11/4885CTSD 384/4885BACE1 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.