SCHEMBL2020790

SCHEMBL2020790

CC1CC1CN(Cc1ccccc1)c1cc(C(=O)O)cc(N(C)S(C)(=O)=O)n1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.52
HCAR3 P49019 1/20 0.37

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
SCHEMBL5651659 0.91 BACE1 (0.47) BACE1HCAR3
SCHEMBL12578837 0.90 BACE1 (0.59) BACE1
SCHEMBL4512858 0.90 BACE1 (0.55) BACE1
SCHEMBL2027404 0.89 BACE1 (0.59) BACE1HCAR3
SCHEMBL12640894 0.86 BACE1 (0.44) BACE1
SCHEMBL2028914 0.82 BACE1 (0.56) BACE1
SCHEMBL2255225 0.82 BACE1 (0.56) BACE1
SCHEMBL12578530 0.82 BACE1 (0.47) BACE1
SCHEMBL2025478 0.82 BACE1 (0.58) BACE1
SCHEMBL5648502 0.82 BACE1 (0.40) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394837-B2 2,3,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2013-03-12 US disclosed
US-8394837-B2 2,3,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme, Corp. (US) 2013-03-12 US disclosed
EP-1817311-B1 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
EP-1740581-B1 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-08-22 EP disclosed
US-7968571-B2 2,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's Disease Merck, Sharp & Dohme, Corp. (US) 2011-06-28 US disclosed
US-7968571-B2 2,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's Disease Merck, Sharp & Dohme, Corp. (US) 2011-06-28 US disclosed
US-7968571-B2 2,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's Disease Merck, Sharp & Dohme, Corp. (US) 2011-06-28 US disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-7354942-B2 Benzylether and benzylamino beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2008-04-08 US disclosed
EP-1740581-A4 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO INC (US) 2008-01-23 EP disclosed
US-20080015233-A1 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-01-17 US disclosed
US-20080015233-A1 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME LLC 2008-01-17 US disclosed
US-20070293497-A1 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
US-20070293497-A1 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease MERCK SHARP & DOHME LLC 2007-12-20 US disclosed
EP-1697308-A4 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK & CO INC (US) 2007-08-22 EP disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
EP-1740581-A1 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER\"S DISEASE Merck and Co., Inc. (US) 2007-01-10 EP disclosed
EP-1697308-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005103043-A1 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER’S DISEASE MERCK & CO., INC. (US) 2005-11-03 WO disclosed
WO-2005065195-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-07-21 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 (3 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-20070293497-A1 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease BACE1, BACE2, PSEN2 BACE1 1/4885HCAR3 2819/4885
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP BACE1 1/4885HCAR3 2032/4885
US-20080015233-A1 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN2 BACE1 1/4885HCAR3 3231/4885

“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.