SCHEMBL3566046

SCHEMBL3566046

CN1C2CCCC1CN(c1ccc(Br)nn1)C2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
KMT2A Q03164 1/20 0.36
CHRNA7 P36544 3/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
HRH1 P35367 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL1023396 0.94 CHRNB2 (0.37) CHRNB2CHRNA4KMT2ACHRNA7CHRNB4
SCHEMBL6625772 0.91 HRH3 (0.37) CHRNB2CHRNA4KMT2ACHRNA7CHRNB4
SCHEMBL3549325 0.85 CHRNB2 (0.35) CHRNB2CHRNA4KMT2ACHRNB4CHRNA3
Fumaric Acid SCHEMBL1026727 0.82 KDM4E (0.36) CHRNA7CHRNB4CHRNA3HTR3A
SCHEMBL3574996 0.81 CHRNB2 (0.56) CHRNB2CHRNA4KMT2ACHRNB4CHRNA3
SCHEMBL1397534 0.80 HRH3 (0.37) CHRNB2CHRNA4KMT2ACHRNA7CHRNB4
SCHEMBL1450231 0.78 OGA (0.37) CHRNB2CHRNA4KMT2ACHRNA7CHRNB4
SCHEMBL3570950 0.77 GRIN2B (0.42) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL3581854 0.77 PDE10A (0.44) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL2676639 0.77 CHRNA7 (0.64) CHRNA7CHRNB4CHRNA3HTR3A

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 CHRNB2 12/4885CHRNA4 8/4885KMT2A 2144/4885

“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.