SCHEMBL1542406

SCHEMBL1542406

Cn1ccc2cc(-c3ccc(OC4CN5CCC4CC5)nn3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.66
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD11B1 P28845 1/20 0.37
CHRNB2 P17787 4/20 0.37
CHRNA4 P43681 4/20 0.37
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR3A P46098 1/20 0.35
FAAH O00519 2/20 0.35
KDM1A O60341 1/20 0.35
PFKFB3 Q16875 1/20 0.35

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
SCHEMBL1542405 1.00 CHRNA7 (0.66) CHRNA7NPC1RAB9ASMN1; SMN2HSD11B1
Trifluoroacetic Acid SCHEMBL1542595 0.91 CHRNA7 (0.56) CHRNA7NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL3190453 0.81 CHRNA7 (0.56) CHRNA7CHRNB2CHRNA4CHRM2CHRM4
SCHEMBL3840566 0.81 CHRNA7 (0.72) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3841996 0.81 CHRNA7 (0.72) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3652275 0.80 CHRNA7 (0.43) CHRNA7NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL3652273 0.80 CHRNA7 (0.43) CHRNA7NPC1RAB9ASMN1; SMN2HSD11B1
SCHEMBL1458610 0.80 CHRNA7 (0.67) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1458613 0.80 CHRNA7 (0.67) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3
Abt-107 SCHEMBL1542259 0.80 CHRNA7 (1.00) CHRNA7CHRNB2CHRNA4CHRNB4CHRNA3

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 2/4885NPC1 757/4885RAB9A 807/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C CHRNA7 144/4885NPC1 2803/4885RAB9A 847/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885NPC1 757/4885RAB9A 807/4885
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 1/4885NPC1 379/4885RAB9A 1943/4885

“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.