SCHEMBL1542284

SCHEMBL1542284

Cc1nc2cc(-c3cnc(O[C@H]4CN5CCC4CC5)nc3)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRNA7 P36544 3/20 0.44
HRH3 Q9Y5N1 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
TLR7 Q9NYK1 2/20 0.36
PIK3CA P42336 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36

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
Hydrochloric Acid SCHEMBL1543147 0.99 GAA (0.45) GAAL3MBTL1CHRNA7HRH3CHRM2
Hydrochloric Acid SCHEMBL1543145 0.98 GAA (0.44) GAAL3MBTL1CHRNA7HRH3CHRM2
SCHEMBL1542361 0.87 CHRNA7 (0.40) GAACHRNA7CHRM2CHRM1CHRM4
SCHEMBL1542346 0.86 CHRM2 (0.43) GAAL3MBTL1CHRNA7CHRM2CHRM1
SCHEMBL1542272 0.82 CHRNA7 (0.42) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL1459609 0.80 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL1459611 0.80 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL999385 0.78 CHRNA7 (0.64) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL999386 0.78 CHRNA7 (0.64) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL3840915 0.78 CHRNA7 (0.48) CHRNA7CHRM2CHRM1CHRM4CHRM5

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
EP-2308875-A1 Fused bicycloheterocycle substituted quinuclidine derivatives as .alpha.7 nAChR modulators Abbott Laboratories (US) 2011-04-13 EP claimed
EP-1896469-A2 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2008-03-12 EP claimed
EP-1824848-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2007-08-29 EP claimed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 US claimed
WO-2007018738-A2 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2007-02-15 WO claimed
WO-2006065233-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2006-06-22 WO 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-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2005-06-23 US claimed
EP-2308875-A1 Fused bicycloheterocycle substituted quinuclidine derivatives as .alpha.7 nAChR modulators Abbott Laboratories (US) 2011-04-13 EP disclosed
US-7655657-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-02-02 US disclosed
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2008-03-13 US disclosed
EP-1896469-A2 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2008-03-12 EP disclosed
EP-1824848-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2007-08-29 EP disclosed
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2007-03-15 US disclosed
WO-2007018738-A2 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2007-02-15 WO disclosed
WO-2006065233-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2006-06-22 WO 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-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 (4 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 GAA 1807/4885L3MBTL1 4538/4885CHRNA7 2/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C GAA 4490/4885L3MBTL1 4685/4885CHRNA7 144/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 GAA 1807/4885L3MBTL1 4538/4885CHRNA7 2/4885
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 GAA 1715/4885L3MBTL1 3706/4885CHRNA7 1/4885

“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.