SCHEMBL2019554

SCHEMBL2019554

COCCN(CC1CC1C)c1cc(-c2nnc([C@H](C)C(N)c3ccccc3)o2)cc(N(C)S(C)(=O)=O)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.48
HDAC1 Q13547 1/20 0.30
RAB9A P51151 1/20 0.30
BACE2 Q9Y5Z0 1/20 0.30

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
SCHEMBL2025795 0.94 BACE1 (0.56) BACE1HDAC1
SCHEMBL2024029 0.90 BACE1 (0.41) BACE1HDAC1BACE2
SCHEMBL14350469 0.89 BACE1 (0.47) BACE1
SCHEMBL2022191 0.88 BACE1 (0.39) BACE1HDAC1
SCHEMBL2027346 0.88 BACE1 (0.47) BACE1HDAC1
SCHEMBL5647522 0.87 BACE1 (0.43) BACE1
SCHEMBL2023323 0.85 BACE1 (0.46) BACE1HDAC1
SCHEMBL5593084 0.85 BACE1 (0.48) BACE1HDAC1RAB9A
SCHEMBL5650175 0.85 BACE1 (0.48) BACE1HDAC1RAB9A
SCHEMBL5593082 0.85 BACE1 (0.48) BACE1HDAC1RAB9A

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 6 patents. 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
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-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

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-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 1/4885HDAC1 1784/4885RAB9A 2116/4885
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 1/4885HDAC1 1346/4885RAB9A 2339/4885

“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.