SCHEMBL4688315

SCHEMBL4688315

CC1(NC[C@@H](O)[C@@H](N)Cc2ccccc2)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.45
F2 P00734 2/20 0.42
EPHX1 P07099 1/20 0.39
LAP3 P28838 4/20 0.38
ANPEP P15144 2/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
MMP2 P08253 2/20 0.37
SLC15A1 P46059 1/20 0.37
MME P08473 1/20 0.37
SLC6A2 P23975 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
MAOA P21397 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MMP1 P03956 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 SCHEMBL5220986 0.99 CSNK1E (0.44) CSNK1EF2EPHX1LAP3ANPEP
SCHEMBL5387047 0.99 CSNK1E (0.46) CSNK1EF2EPHX1LAP3ANPEP
Hydrochloric Acid SCHEMBL5222515 0.97 CSNK1E (0.45) CSNK1EF2EPHX1LAP3ANPEP
SCHEMBL4689806 0.93 CSNK1E (0.48) CSNK1EF2EPHX1LAP3ANPEP
SCHEMBL4693565 0.84 CSNK1E (0.46) CSNK1EF2EPHX1LAP3ANPEP
Hydrochloric Acid SCHEMBL5226024 0.83 CSNK1E (0.45) CSNK1EF2EPHX1LAP3ANPEP
SCHEMBL4688261 0.82 CSNK1E (0.50) CSNK1EF2EPHX1LAP3ANPEP
Hydrochloric Acid SCHEMBL5219524 0.81 CSNK1E (0.49) CSNK1EF2EPHX1LAP3ANPEP
SCHEMBL5390344 0.81 CSNK1E (0.51) CSNK1EF2EPHX1LAP3ANPEP
SCHEMBL4688911 0.81 F2 (0.40) CSNK1EF2EPHX1LAP3ANPEP

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 4696/4885EPHX1 383/4885

“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.