SCHEMBL4688261

SCHEMBL4688261

CCCC1(NC[C@@H](O)[C@@H](N)Cc2ccccc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.50
F2 P00734 2/20 0.39
CETP P11597 1/20 0.37
MME P08473 1/20 0.36
BCHE P06276 3/20 0.36
TRPA1 O75762 1/20 0.35
REN P00797 2/20 0.35
LAP3 P28838 3/20 0.35
ANPEP P15144 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
EPHX1 P07099 1/20 0.35
MMP2 P08253 1/20 0.34
SLC15A1 P46059 1/20 0.34

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 SCHEMBL5219524 0.99 CSNK1E (0.49) CSNK1EF2CETPMMEBCHE
SCHEMBL5390344 0.99 CSNK1E (0.51) CSNK1EF2CETPMMEBCHE
Hydrochloric Acid SCHEMBL5224199 0.98 CSNK1E (0.50) CSNK1EF2CETPMMEBCHE
SCHEMBL5385780 0.96 CSNK1E (0.51) CSNK1EF2MMEBCHETRPA1
Hydrochloric Acid SCHEMBL5225719 0.95 CSNK1E (0.50) CSNK1EF2MMEBCHETRPA1
SCHEMBL5388689 0.94 CSNK1E (0.53) CSNK1EF2BCHETRPA1REN
Hydrochloric Acid SCHEMBL5222286 0.93 CSNK1E (0.52) CSNK1EF2BCHETRPA1REN
SCHEMBL4693565 0.90 CSNK1E (0.46) CSNK1EF2MMETRPA1REN
Hydrochloric Acid SCHEMBL5226024 0.89 CSNK1E (0.45) CSNK1EF2MMETRPA1REN
SCHEMBL5224179 0.86 CSNK1E (0.47) CSNK1EF2TRPA1RENLAP3

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
EP-1692143-B1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2008-11-12 EP disclosed
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 1649/4885F2 4696/4885CETP 1041/4885

“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.