SCHEMBL5388689

SCHEMBL5388689

CCCC1(NC[C@@H](O)[C@@H](N)Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.53
F2 P00734 2/20 0.41
TRPA1 O75762 1/20 0.38
BCHE P06276 3/20 0.38
EPHX1 P07099 1/20 0.38
LAP3 P28838 3/20 0.37
ANPEP P15144 1/20 0.37
RNPEP Q9H4A4 1/20 0.37
DNPEP Q9ULA0 1/20 0.37
REN P00797 2/20 0.37
MMP2 P08253 1/20 0.36
SLC15A1 P46059 1/20 0.36
SLC6A2 P23975 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36

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 SCHEMBL5222286 0.99 CSNK1E (0.52) CSNK1EF2TRPA1BCHEEPHX1
SCHEMBL5390344 0.95 CSNK1E (0.51) CSNK1EF2TRPA1BCHEEPHX1
SCHEMBL5385780 0.95 CSNK1E (0.51) CSNK1EF2TRPA1BCHEEPHX1
Hydrochloric Acid SCHEMBL5224199 0.94 CSNK1E (0.50) CSNK1EF2TRPA1BCHEEPHX1
Hydrochloric Acid SCHEMBL5225719 0.94 CSNK1E (0.50) CSNK1EF2TRPA1BCHEEPHX1
SCHEMBL4688261 0.94 CSNK1E (0.50) CSNK1EF2TRPA1BCHEEPHX1
Hydrochloric Acid SCHEMBL5219524 0.93 CSNK1E (0.49) CSNK1EF2TRPA1BCHEEPHX1
SCHEMBL4690000 0.89 CSNK1E (0.49) CSNK1EF2TRPA1EPHX1LAP3
Hydrochloric Acid SCHEMBL5221629 0.88 CSNK1E (0.48) CSNK1EF2TRPA1EPHX1LAP3
Hydrochloric Acid SCHEMBL5220486 0.86 CSNK1E (0.47) CSNK1EF2TRPA1BCHEEPHX1

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 1649/4885F2 4696/4885TRPA1 4648/4885

“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.