SCHEMBL4693111

SCHEMBL4693111

CC(C)(C)N(C(=O)O)[C@@H](Cc1ccccc1)[C@H](O)CNC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.41
CTSD P07339 9/20 0.41
BACE2 Q9Y5Z0 9/20 0.41

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
SCHEMBL4693114 1.00 BACE1 (0.41) BACE1CTSDBACE2
SCHEMBL5223477 0.87 BACE1 (0.44) BACE1CTSDBACE2
SCHEMBL5223435 0.87 BACE1 (0.42) BACE1CTSDBACE2
SCHEMBL5223476 0.87 BACE1 (0.44) BACE1CTSDBACE2
SCHEMBL5220282 0.83 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL5220292 0.83 BACE1 (0.39) BACE1CTSDBACE2
SCHEMBL5219187 0.82 SIGMAR1 (0.43) BACE1
SCHEMBL5219195 0.82 SIGMAR1 (0.43) BACE1
SCHEMBL5223463 0.80 OPRD1 (0.41) BACE1
SCHEMBL5223473 0.80 OPRD1 (0.41) BACE1

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-20070073060-A1 Tricycle indole hydroxyethlamine derivatives and their use in the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-03-29 US disclosed
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP 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-20070073060-A1 Tricycle indole hydroxyethlamine derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, APP BACE1 2/4885CTSD 253/4885BACE2 1/4885

“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.