SCHEMBL5741992

SCHEMBL5741992

O=C(O)N[C@@H](Cc1ccccc1)[C@@H](O)CNC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.59
CTSD P07339 7/20 0.59
BACE2 Q9Y5Z0 7/20 0.59
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL5741988 1.00 BACE1 (0.59) BACE1CTSDBACE2KDM4E
SCHEMBL5930076 0.99 BACE1 (0.57) BACE1CTSDBACE2KDM4E
SCHEMBL5930079 0.99 BACE1 (0.57) BACE1CTSDBACE2KDM4E
SCHEMBL5930243 0.96 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL5930246 0.96 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL5222893 0.84 KLK5 (0.59) BACE1CTSDBACE2
SCHEMBL5222884 0.84 KLK5 (0.59) BACE1CTSDBACE2
SCHEMBL6205577 0.84 KLK5 (0.59) BACE1CTSDBACE2
SCHEMBL4875199 0.84 BACE1 (0.45) BACE1CTSDBACE2KDM4E
SCHEMBL5223745 0.84 BACE1 (0.49) BACE1CTSDBACE2

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
US-20020128255-A1 Compounds to treat alzheimer's disease PHARMACIA & UPJOHN COMPANY 2002-09-12 US claimed
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
EP-1620438-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-02-01 EP disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 WO 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 BACE1 2/4885CTSD 264/4885BACE2 1/4885
US-20020128255-A1 Compounds to treat alzheimer's disease PSEN2, PSEN1, APP BACE1 4/4885CTSD 2080/4885BACE2 9/4885

“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.