SCHEMBL3578736

SCHEMBL3578736

CN1C2CCCC1CN(c1ccc(F)nc1)C2

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
MAPT P10636 2/20 0.37
CHRNA7 P36544 1/20 0.37
RAB9A P51151 1/20 0.36
CDK4 P11802 1/20 0.35
CDK6 Q00534 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
SCHEMBL6626078 0.93 DPP4 (0.42) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL6625195 0.87 DPP4 (0.44) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL3579509 0.82 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3576896 0.82 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL3573719 0.82 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3MAPT
SCHEMBL5832150 0.75 CHRNB2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6626577 0.75 L3MBTL3 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5832776 0.75 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5366888 0.74 CHRNB2 (0.69) CHRNB2CHRNA4DPP4DPP8DPP9
SCHEMBL3567497 0.74 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 4 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 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
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 disclosed
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 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 CHRNB2 12/4885CHRNA4 8/4885DPP4 1049/4885

“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.