SCHEMBL676837

SCHEMBL676837

O=C1c2cc(CO)c(CO)cc2C[C@H]1CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.69
ACHE P22303 3/20 0.69
FAAH O00519 1/20 0.69
ABCC4 O15439 1/20 0.69
CACNA1F O60840 1/20 0.69
PDE5A O76074 1/20 0.69
ABCB11 O95342 1/20 0.69
APP P05067 1/20 0.69
CHRM2 P08172 1/20 0.69
ABCB1 P08183 1/20 0.69
CYP3A4 P08684 1/20 0.69
CHRM5 P08912 1/20 0.69
ADRA2A P08913 1/20 0.69
CHRM1 P11229 1/20 0.69
ADRA2C P18825 1/20 0.69
DRD4 P21917 1/20 0.69
SLC6A2 P23975 1/20 0.69
MAOB P27338 1/20 0.69
AGTR1 P30556 1/20 0.69
ADRA1A P35348 1/20 0.69

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
SCHEMBL676836 1.00 BCHE (0.69) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL6867659 1.00 BCHE (0.69) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL678139 1.00 BCHE (0.69) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL8281051 0.93 BCHE (0.66) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL12808576 0.90 ACHE (0.70) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL24390900 0.90 BCHE (0.74) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL13144547 0.89 BCHE (0.82) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL14640874 0.89 BCHE (0.56) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL13595162 0.88 BCHE (0.63) BCHEACHEFAAHABCC4CACNA1F
SCHEMBL14539983 0.88 BCHE (0.70) BCHEACHEFAAHABCC4CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-03 US disclosed
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-03 US disclosed
US-20100168174-A1 Combination of AMPA Receptor Antagonists and Acetylcholinesterase Inhibitors for the Treatment of Neuropathic Pain EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-01 US disclosed
EP-2140868-A1 Use of a cholinesterase inhibitor for the treatment of dementia and cognitive impairments associated with or caused by chemotherapy Eisai R&D Management Co., Ltd. (JP) 2010-01-06 EP disclosed
EP-2138177-A1 Use of a cholinesterase inhibitor for the treatment of dementia and cognitive impairments Eisai R&D Management Co., Ltd. (JP) 2009-12-30 EP disclosed
US-7563808-B2 Methods for treating cognitive impairments or dementia EISAI CO., LTD. (JP) 2009-07-21 US disclosed
US-20090131480-A1 Dihydropyridine Compounds for Neurodegenerative Diseases and Dementia EISAI CO., LTD. (JP) 2009-05-21 US disclosed
US-20090042939-A1 Methods and Compositions Using Cholinesterase Inhibitors EISAI CO., LTD. (JP) 2009-02-12 US disclosed
US-20090042940-A1 METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2009-02-12 US disclosed
US-20080312189-A1 Cadasil Treatment with Cholinesterase Inhibitors EISAI CO., LTD. (JP) 2008-12-18 US disclosed
US-20080167343-A1 Methods and compositions using cholinesterase inhibitors EISAI CO., LTD. (JP) 2008-07-10 US disclosed
US-20070129402-A1 Donepezil; pharmacokinetics; single-dose administration of the formulation to a patient provides a blood plasma level profile with a dosage-corrected Cmax EISAI RESEARCH INSTITUTE (US) 2007-06-07 US disclosed
EP-1764101-A1 Use of a cholinesterase inhibitor for the treatment of dementia and cognitive impairments Eisai R&D Management Co., Ltd. (JP) 2007-03-21 EP disclosed
WO-2006107860-A2 DIHYDROPYRIDINE COMPOUNDS AND COMPOSITIONS FOR HEADACHES EISAI CO., LTD. (JP) 2006-10-12 WO disclosed
WO-2006107859-A2 DIHYDROPYRIDINE COMPOUNDS FOR NEURODEGENERATIVE DISEASES AND DEMENTIA EISAI CO., LTD. (JP) 2006-10-12 WO disclosed
WO-2005087226-A1 CADASIL TREATMENT WITH CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2005-09-22 WO disclosed
WO-2004034963-A2 METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS EISAI CO., LTD. (JP) 2004-04-29 WO disclosed
WO-2003092606-A2 CHOLINESTERASE INHIBITORS TO PREVENT INJURIES CAUSED BY CHEMICALS EISAI CO., LTD. (JP) 2003-11-13 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 (8 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-20080167343-A1 Methods and compositions using cholinesterase inhibitors PSEN1, BACE1, PSENEN BCHE 137/4885ACHE 26/4885FAAH 861/4885
US-20100168174-A1 Combination of AMPA Receptor Antagonists and Acetylcholinesterase Inhibitors for the Treatment of Neuropathic Pain ACHE, CHRNA5, CHRNA2 BCHE 35/4885ACHE 1/4885FAAH 422/4885
US-20090131480-A1 Dihydropyridine Compounds for Neurodegenerative Diseases and Dementia CHRNA5, GRIN1, GRIK5 BCHE 48/4885ACHE 33/4885FAAH 1268/4885
US-20070129402-A1 Donepezil; pharmacokinetics; single-dose administration of the formulation to a patient provides a blood plasma level profile with a dosage-corrected Cmax CYP3A5, SLC6A2, SLC6A4 BCHE 10/4885ACHE 4/4885FAAH 953/4885
US-20090042939-A1 Methods and Compositions Using Cholinesterase Inhibitors PSEN1, BACE1, PSENEN BCHE 137/4885ACHE 26/4885FAAH 861/4885
US-20080312189-A1 Cadasil Treatment with Cholinesterase Inhibitors NOTCH3, NOTCH2, NOTCH4 BCHE 38/4885ACHE 156/4885FAAH 1617/4885
US-20110053981-A1 Methods and Compositions Using Cholinesterase Inhibitors PSEN1, BACE1, PSENEN BCHE 137/4885ACHE 26/4885FAAH 861/4885
US-20090042940-A1 METHODS AND COMPOSITIONS USING CHOLINESTERASE INHIBITORS PSEN1, BACE1, PSENEN BCHE 137/4885ACHE 26/4885FAAH 861/4885

“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.