SCHEMBL5225568

SCHEMBL5225568

CC(C)(COc1ccccc1)NC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.46
LTA4H P09960 2/20 0.44
CYP2D6 P10635 3/20 0.44
F2 P00734 2/20 0.43
REN P00797 1/20 0.43
CSNK1E P49674 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
LAP3 P28838 2/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
ANPEP P15144 1/20 0.39
RNPEP Q9H4A4 1/20 0.39
DNPEP Q9ULA0 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
SCHEMBL5225738 0.85 CASR (0.46) CASRLTA4HF2RENCSNK1E
SCHEMBL5217674 0.84 CSNK1E (0.49) CASRCYP2D6F2CSNK1ELAP3
SCHEMBL5222018 0.82 CTSD (0.44) CASRF2RENCSNK1ELAP3
SCHEMBL5396321 0.82 CSNK1E (0.51) CASRF2CSNK1ESIGMAR1LAP3
SCHEMBL5218444 0.81 CSNK1E (0.47) CASRF2RENCSNK1ESIGMAR1
Hydrochloric Acid SCHEMBL5217528 0.81 CSNK1E (0.50) CASRF2RENCSNK1ELAP3
SCHEMBL5225340 0.81 CASR (0.52) CASRF2
SCHEMBL5219338 0.81 CSNK1E (0.40) CASRLTA4HF2RENCSNK1E
SCHEMBL5217437 0.81 CSNK1E (0.51) CYP2D6F2CSNK1ESIGMAR1SLC6A2
SCHEMBL5217991 0.78 CASR (0.41) CASRCYP2D6SLC6A2SLC6A4SLC6A3

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 3 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
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP 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 CASR 2790/4885LTA4H 1446/4885CYP2D6 3963/4885

“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.