SCHEMBL3579577

SCHEMBL3579577

CN1C2CCCC1CN(c1cncc(Cl)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.55
CHRNA3 P32297 4/20 0.55
CHRNB2 P17787 5/20 0.50
CHRNA4 P43681 5/20 0.50
CHRNA1 P02708 1/20 0.46
CHRNA7 P36544 1/20 0.46
MAPK1 P28482 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
SCHEMBL6626222 0.92 CHRNB2 (0.47) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL6625740 0.85 CHRNB4 (0.49) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1
SCHEMBL3578741 0.79 CHRNB2 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3573112 0.76 CHRNB2 (0.60) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3135365 0.76 KMT2A (0.42)
SCHEMBL3584117 0.75 CHRNB2 (0.53) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3576612 0.75 HRH4 (0.42)
SCHEMBL6625496 0.74 CHRNB2 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3571367 0.74 CHRNB2 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3571370 0.74 CHRNB2 (0.55) CHRNB4CHRNA3CHRNB2CHRNA4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687523-B2 3-heteroaryl-3,9-diazabicyclo[3.3.1]nonane derivatives as nicotinic acetylcholine receptor agonists NEUROSEARCH A/S (DK) 2010-03-30 US claimed
US-20090005388-A1 3-Heteroaryl-3,9-Diazabicyclo[3.3.1]Nonane Derivatives as Nicotinic Acetylcholine Receptor Agonists GLORIANA THERAPEUTICS, INC. 2009-01-01 US claimed
EP-1987031-A1 3-HETEROARYL- 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS NeuroSearch A/S (DK) 2008-11-05 EP claimed
WO-2007090888-A1 3-HETEROARYL- 3,9-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS NEUROSEARCH A/S (DK) 2007-08-16 WO claimed
US-7687523-B2 3-heteroaryl-3,9-diazabicyclo[3.3.1]nonane derivatives as nicotinic acetylcholine receptor agonists NEUROSEARCH A/S (DK) 2010-03-30 US disclosed
US-20090005388-A1 3-Heteroaryl-3,9-Diazabicyclo[3.3.1]Nonane Derivatives as Nicotinic Acetylcholine Receptor Agonists GLORIANA THERAPEUTICS, INC. 2009-01-01 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 (1 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-20090005388-A1 3-Heteroaryl-3,9-Diazabicyclo[3.3.1]Nonane Derivatives as Nicotinic Acetylcholine Receptor Agonists CHRNA3, CHRNA10, CHRNB3 CHRNB4 15/4885CHRNA3 1/4885CHRNB2 12/4885

“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.