SCHEMBL1542783

SCHEMBL1542783

Brc1c[nH]c2ccc(-c3ccc(O[C@H]4CN5CCC4CC5)nn3)cc12

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.68
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
HTR3A P46098 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
SLC6A4 P31645 2/20 0.35
KCNH2 Q12809 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL1542212 0.88 CHRNA7 (0.68) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL6529199 0.88 CHRNA7 (0.68) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL1542445 0.83 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL1542448 0.83 CHRNA7 (0.61) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL1542373 0.82 CHRNA7 (0.69) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL1542370 0.82 CHRNA7 (0.69) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL1542401 0.82 CHRNA7 (0.68) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1542398 0.82 CHRNA7 (0.68) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4
SCHEMBL1542727 0.81 CHRNA7 (0.59) CHRNA7CHRNB2CHRNA4HTR3AHTR3E
SCHEMBL5412739 0.81 CHRNA7 (0.64) CHRNA7CHRNB2CHRNA4HTR3ACHRNB4

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 CHRNA7 2/4885CHRNB2 12/4885CHRNA4 10/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C CHRNA7 144/4885CHRNB2 210/4885CHRNA4 414/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885CHRNB2 12/4885CHRNA4 10/4885
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 1/4885CHRNB2 6/4885CHRNA4 10/4885

“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.