SCHEMBL255923

SCHEMBL255923

COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.69
CTSD P07339 13/20 0.66
BACE1 P56817 15/20 0.64

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
SCHEMBL3511029 1.00 BCHE (0.69) BCHECTSDBACE1
SCHEMBL715242 1.00 BCHE (0.69) BCHECTSDBACE1
SCHEMBL5226037 0.92 BCHE (0.60) BCHECTSDBACE1
SCHEMBL5226047 0.92 BCHE (0.60) BCHECTSDBACE1
SCHEMBL5220617 0.91 BCHE (0.58) BCHECTSDBACE1
SCHEMBL5220622 0.91 BCHE (0.58) BCHECTSDBACE1
SCHEMBL6646102 0.90 BCHE (0.63) BCHECTSDBACE1
SCHEMBL5399270 0.90 BCHE (0.57) BCHECTSDBACE1
SCHEMBL5399275 0.90 BCHE (0.57) BCHECTSDBACE1
SCHEMBL16317814 0.90 BCHE (0.57) BCHECTSDBACE1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299267-B2 (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating COMENTIS, INC. (US) 2012-10-30 US disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-11-11 US disclosed
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
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
EP-1395551-B1 HYDROXY ALKYL AMINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND THEIR USE FOR THE TREATMENT OF ALZHEIMER'S DISEASE AND SIMILAR DISEASES ELAN PHARM INC (US) 2008-05-21 EP disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US disclosed
US-20070299263-A1 Hydroxy Alkyl Amines Elan Pharmaceuticals, Inc. and Pharmacia & Upjohn Company 2007-12-27 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 US 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
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-1692143-A1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2006-08-23 EP disclosed
WO-2005058915-A1 TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-06-30 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 (7 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 BCHE 24/4885CTSD 264/4885BACE1 2/4885
US-20070073060-A1 Tricycle indole hydroxyethlamine derivatives and their use in the treatment of alzheimer's disease BACE2, BACE1, APP BCHE 46/4885CTSD 253/4885BACE1 2/4885
US-20100286145-A1 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY BACE1, BACE2, APP BCHE 11/4885CTSD 191/4885BACE1 1/4885
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, APP, BACE2 BCHE 15/4885CTSD 251/4885BACE1 1/4885
US-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 BCHE 22/4885CTSD 138/4885BACE1 2/4885
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 BCHE 11/4885CTSD 24/4885BACE1 1/4885
US-20070299263-A1 Hydroxy Alkyl Amines MAOA, PSEN2, PSEN1 BCHE 20/4885CTSD 2851/4885BACE1 67/4885

“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.