SCHEMBL4693472

SCHEMBL4693472

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.50
ANPEP P15144 2/20 0.50
RNPEP Q9H4A4 2/20 0.50
DNPEP Q9ULA0 2/20 0.50
CSNK1E P49674 1/20 0.49
CTSD P07339 5/20 0.43
BACE1 P56817 5/20 0.43
BACE2 Q9Y5Z0 5/20 0.43
F2 P00734 2/20 0.40
CASR P41180 1/20 0.40
SPPL2A Q8TCT8 1/20 0.39

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 SCHEMBL5222718 0.99 LAP3 (0.49) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5219469 0.87 CSNK1E (0.59) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5217674 0.84 CSNK1E (0.49) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5220403 0.83 LAP3 (0.53) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5396321 0.82 CSNK1E (0.51) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5224141 0.82 CSNK1E (0.55) LAP3ANPEPRNPEPDNPEPCSNK1E
Hydrochloric Acid SCHEMBL5217902 0.81 ADRB1 (0.41) LAP3ANPEPRNPEPDNPEPCSNK1E
Hydrochloric Acid SCHEMBL5217528 0.81 CSNK1E (0.50) LAP3ANPEPRNPEPDNPEPCSNK1E
SCHEMBL5218444 0.81 CSNK1E (0.47) LAP3ANPEPRNPEPDNPEPCSNK1E
Hydrochloric Acid SCHEMBL5226706 0.81 DPP4 (0.35) LAP3ANPEPRNPEPDNPEPCSNK1E

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 4 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-10-12 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 (2 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-20060229302-A1 Tricyclic indole derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, PSEN2 LAP3 399/4885ANPEP 85/4885RNPEP 235/4885
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 LAP3 259/4885ANPEP 47/4885RNPEP 239/4885

“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.