SCHEMBL373145

SCHEMBL373145

Cc1n[nH]c2ccc(-c3ccc(OC4CN5CCC4CC5)cc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.50
LSS P48449 1/20 0.42
DYRK1A Q13627 4/20 0.40
GSK3B P49841 3/20 0.40
CLK2 P49760 2/20 0.39
CLK3 P49761 2/20 0.39
JAK2 O60674 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL1542298 0.90 PRKAG1 (0.43) CHRNA7LSSDYRK1AGSK3BCLK2
SCHEMBL1542398 0.82 CHRNA7 (0.68) CHRNA7DYRK1AGSK3B
SCHEMBL1542401 0.82 CHRNA7 (0.68) CHRNA7DYRK1AGSK3B
SCHEMBL1542694 0.79 HTR3A (0.46) CHRNA7DYRK1ACLK2JAK2
SCHEMBL13444725 0.77 CHRNA7 (0.71) CHRNA7LSS
SCHEMBL1542302 0.75 CHRNA7 (0.69) CHRNA7LSS
SCHEMBL1542313 0.75 CHRNA7 (0.69) CHRNA7LSS
Fumaric Acid SCHEMBL1542010 0.75 CHRNA7 (0.58) CHRNA7DYRK1AGSK3BCLK2CLK3
Fumaric Acid SCHEMBL1542011 0.75 CHRNA7 (0.58) CHRNA7DYRK1AGSK3BCLK2CLK3
Fumaric Acid SCHEMBL1542012 0.75 CHRNA7 (0.58) CHRNA7DYRK1AGSK3BCLK2CLK3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308875-A1 Fused bicycloheterocycle substituted quinuclidine derivatives as .alpha.7 nAChR modulators Abbott Laboratories (US) 2011-04-13 EP claimed
US-7674794-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-03-09 US claimed
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2007-03-22 US claimed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 US claimed
US-7160876-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2007-01-09 US claimed
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators ABBOTT LABORATORIES 2005-11-03 US claimed
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2005-06-23 US claimed
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2005-06-23 US claimed
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS TARGACEPT, INC. (US) 2014-08-21 US disclosed
EP-2484363-A1 (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)-5-methylthiophene-2-carboxamide Targacept, Inc. (US) 2012-08-08 EP disclosed
EP-2409703-A1 Treatment with alpha7-selective ligands Targacept, Inc. (US) 2012-01-25 EP disclosed
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-10-27 US disclosed
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-05-26 US disclosed
EP-2308875-A1 Fused bicycloheterocycle substituted quinuclidine derivatives as .alpha.7 nAChR modulators Abbott Laboratories (US) 2011-04-13 EP disclosed
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 US disclosed
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2007-03-22 US disclosed
US-7160876-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2007-01-09 US disclosed
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators ABBOTT LABORATORIES 2005-11-03 US disclosed
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2005-06-23 US disclosed
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2005-06-23 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 (9 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-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885LSS 2160/4885DYRK1A 4796/4885
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS CHRNA7, CHRNA2, CHRNA4 CHRNA7 1/4885LSS 3514/4885DYRK1A 2317/4885
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS CHRNA7, CHRNA1, CHRNG CHRNA7 1/4885LSS 1844/4885DYRK1A 3337/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C CHRNA7 144/4885LSS 2497/4885DYRK1A 1385/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885LSS 2160/4885DYRK1A 4796/4885
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885LSS 2257/4885DYRK1A 4791/4885
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885LSS 2257/4885DYRK1A 4791/4885
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS CHRNA7, CHRNA4, CHRNA2 CHRNA7 1/4885LSS 2079/4885DYRK1A 2929/4885
US-20050245531-A1 5-{6-[(3R)-1-azabicyclo[2.2.2]oct-3-yloxy]pyridazin-3-yl}-1H-indole; attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease, senile dementia, AIDS dementia, Pick's Disease, dementia associated with Down's syndrome; alpha 7 nAChR ligands modulators CHRNA7, CHRNA6, CHRNA10 CHRNA7 1/4885LSS 1859/4885DYRK1A 2591/4885

“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.