SCHEMBL1542452

SCHEMBL1542452

Brc1cnc(O[C@@H]2CN3CCC2CC3)nc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.46
CHRM2 P08172 2/20 0.46
CHRNA7 P36544 3/20 0.45
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM3 P20309 1/20 0.42
HMOX1 P09601 1/20 0.41

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
SCHEMBL1542863 1.00 CHRM1 (0.46) CHRM1CHRM2CHRNA7CHRM4CHRM5
SCHEMBL1542861 1.00 CHRM1 (0.46) CHRM1CHRM2CHRNA7CHRM4CHRM5
SCHEMBL5710592 0.85 CHRNA7 (0.40) CHRM1CHRM2CHRNA7CHRM4CHRM5
SCHEMBL5395242 0.84 CHRNA7 (0.50) CHRM1CHRM2CHRNA7
SCHEMBL417280 0.82 CHRM1 (0.39) CHRM1CHRM2CHRNA7HMOX1
SCHEMBL3844303 0.80 CHRNA7 (0.48) CHRM1CHRM2CHRNA7CHRM4CHRM5
SCHEMBL999498 0.80 CHRNA7 (0.48) CHRM1CHRM2CHRNA7CHRM4CHRM5
SCHEMBL999496 0.80 CHRNA7 (0.48) CHRM1CHRM2CHRNA7CHRM4CHRM5
SCHEMBL1542353 0.80 CHRM1 (0.49) CHRM1CHRM2CHRNA7CHRM4CHRM5
SCHEMBL1542354 0.80 CHRM1 (0.49) CHRM1CHRM2CHRNA7CHRM4CHRM5

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 20 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 disclosed
US-7674794-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2010-03-09 US 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
US-7309699-B2 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES (US) 2007-12-18 US disclosed
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES JI JIANGUO 2007-11-29 US disclosed
EP-1824848-A1 FUSED BICYCLOHETEROCYCLE SUBSTITUTED QUINUCLIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2007-08-29 EP disclosed
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 2007-03-22 US 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
US-7160876-B2 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES (US) 2007-01-09 US disclosed
EP-1699785-A2 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2006-09-13 EP 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
WO-2005066166-A2 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES ABBOTT LABORATORIES (US) 2005-07-21 WO disclosed
US-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-07-21 US disclosed
US-20050137203-A1 3-quinuclidinyl amino-substituted biaryl derivatives ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBOTT LABORATORIES 2005-06-23 US disclosed
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives ABBVIE INC. 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-20050159597-A1 3-Quinuclidinyl amino-substituted biaryl derivatives CHRNA7, CHRNA9, CHRNA1 CHRM1 36/4885CHRM2 35/4885CHRNA7 1/4885
US-20070060588-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRM1 22/4885CHRM2 20/4885CHRNA7 2/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C CHRM1 698/4885CHRM2 708/4885CHRNA7 144/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRM1 22/4885CHRM2 20/4885CHRNA7 2/4885
US-20070275975-A1 3-QUINUCLIDINYL AMINO-SUBSTITUTED BIARYL DERIVATIVES CHRNA7, CHRNA9, CHRNA1 CHRM1 36/4885CHRM2 35/4885CHRNA7 1/4885
US-20050137203-A1 3-quinuclidinyl amino-substituted biaryl derivatives CHRNA9, CHRNA7, CHRNA1 CHRM1 37/4885CHRM2 34/4885CHRNA7 2/4885
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRM1 20/4885CHRM2 19/4885CHRNA7 2/4885
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRM1 20/4885CHRM2 19/4885CHRNA7 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 CHRM1 24/4885CHRM2 27/4885CHRNA7 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.