SCHEMBL1542300

SCHEMBL1542300

Cc1nn(OC(=O)C(F)(F)F)c2ccc(-c3ccc(OC4CN5CCC4CC5)cc3)cc12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
LSS P48449 1/20 0.41
TLR7 Q9NYK1 1/20 0.36
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 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
Trifluoroacetic Acid SCHEMBL1542298 0.76 PRKAG1 (0.43) CHRNA7LSS
SCHEMBL5431557 0.72 CHRNA7 (0.53) CHRNA7LSSP2RX3P2RX2
SCHEMBL373145 0.70 CHRNA7 (0.50) CHRNA7LSS
Trifluoroacetic Acid SCHEMBL5407597 0.70 CHRNA7 (0.53) CHRNA7LSSP2RX3P2RX2
SCHEMBL13444725 0.69 CHRNA7 (0.71) CHRNA7LSS
Trifluoroacetic Acid SCHEMBL1542269 0.67 PIK3CA (0.43) CHRNA7LSS
SCHEMBL14863486 0.67 CHEK2 (0.42)
Trifluoroacetic Acid SCHEMBL1542707 0.67 PIK3CA (0.43) CHRNA7LSS
SCHEMBL5420826 0.66 CHRNA7 (0.55) CHRNA7LSSTLR7
SCHEMBL5408169 0.66 CHRNA7 (0.55) CHRNA7LSSTLR7

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 10 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
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
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 (6 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 2160/4885TLR7 291/4885
US-20080064703-A1 Fused bicycloheterocycle substituted quinuclidine derivatives IDO1, IDO2, HTR3C CHRNA7 144/4885LSS 2497/4885TLR7 1418/4885
US-20050137204-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885LSS 2160/4885TLR7 291/4885
US-20070066592-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885LSS 2257/4885TLR7 368/4885
US-20050137184-A1 Fused bicycloheterocycle substituted quinuclidine derivatives CHRNA1, CHRNA7, CHRNA2 CHRNA7 2/4885LSS 2257/4885TLR7 368/4885
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 1859/4885TLR7 971/4885

“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.