SCHEMBL5404892

SCHEMBL5404892

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.51
LAP3 P28838 4/20 0.49
ANPEP P15144 2/20 0.49
RNPEP Q9H4A4 2/20 0.49
DNPEP Q9ULA0 2/20 0.49
CTSD P07339 2/20 0.48
BACE1 P56817 2/20 0.48
BACE2 Q9Y5Z0 2/20 0.48
BCHE P06276 1/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44
SPPL2A Q8TCT8 1/20 0.42
ADRB2 P07550 4/20 0.42
F2 P00734 1/20 0.42

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 SCHEMBL4692419 0.99 CSNK1E (0.50) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL4049242 0.86 ALDH1A1 (0.54) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL5400529 0.85 PNMT (0.49) CTSDBACE1BACE2SPPL2AADRB2
SCHEMBL5393980 0.85 CTSD (0.44) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL5218272 0.85 ADRB2 (0.48) CSNK1ELAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL5221937 0.84 PNMT (0.48) CTSDBACE1BACE2SPPL2AADRB2
Hydrochloric Acid SCHEMBL5217734 0.84 CTSD (0.43) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL5222215 0.83 CSNK1E (0.52) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL4689540 0.83 CSNK1E (0.52) CSNK1ELAP3ANPEPRNPEPDNPEP
SCHEMBL3347082 0.83 CSNK1E (0.49) 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.