SCHEMBL5389524

SCHEMBL5389524

CC(C)CC1(NC[C@@H](O)[C@@H](N)Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.44
LAP3 P28838 5/20 0.42
ANPEP P15144 3/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
F2 P00734 2/20 0.41
SLC6A2 P23975 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TRPA1 O75762 1/20 0.38
BCHE P06276 1/20 0.38
EPHX1 P07099 1/20 0.38
CYP2D6 P10635 1/20 0.37
SPPL2A Q8TCT8 1/20 0.37

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 SCHEMBL5225730 0.99 CSNK1E (0.43) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL4690000 0.86 CSNK1E (0.49) CSNK1ELAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL5220486 0.86 CSNK1E (0.47) CSNK1ELAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL5221629 0.85 CSNK1E (0.48) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL5386453 0.85 CSNK1E (0.49) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL5388689 0.84 CSNK1E (0.53) CSNK1ELAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL5216382 0.84 CSNK1E (0.48) CSNK1ELAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL5222286 0.83 CSNK1E (0.52) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL5224179 0.82 CSNK1E (0.47) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL4689806 0.81 CSNK1E (0.48) CSNK1ELAP3ANPEPRNPEPDNPEP

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 CSNK1E 1649/4885LAP3 259/4885ANPEP 47/4885

“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.