SCHEMBL3564137

SCHEMBL3564137

CN1C2CCCC1CN(c1ccc(I)cn1)C2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.34
DRD4 P21917 2/20 0.34
HTR2A P28223 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR7 P34969 2/20 0.34
DRD3 P35462 2/20 0.34
MAPT P10636 2/20 0.34
HRH3 Q9Y5N1 4/20 0.33
NMT1 P30419 1/20 0.33
HDAC1 Q13547 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
MAPK1 P28482 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2C P28335 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ADRA1A P35348 1/20 0.32

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
SCHEMBL21012851 0.85 ALDH1A1 (0.33) HTR1ADRD4HTR2ASLC6A4HTR7
SCHEMBL3581854 0.82 PDE10A (0.44) HTR1ADRD4HTR2ASLC6A4HTR7
SCHEMBL3576177 0.82 DRD4 (0.50) HTR1ADRD4HTR2ASLC6A4HTR7
SCHEMBL22837868 0.80 SORD (0.35) MAPTHDAC1HRH4
SCHEMBL4522600 0.77 HDAC1 (0.47) DRD4MAPTHRH3NMT1HDAC1
SCHEMBL22569545 0.75 DRD4 (0.55) HTR1ADRD4HTR2ASLC6A4HTR7
SCHEMBL3393966 0.75 ACACB (0.44) HTR1ADRD4HTR2ASLC6A4HTR7
SCHEMBL4517650 0.75 HDAC1 (0.46) DRD4HRH3NMT1HDAC1HRH4
SCHEMBL1450231 0.74 OGA (0.37) HRH3
SCHEMBL13187431 0.74 KCNH2 (0.36) MAPTHDAC1PDE10A

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 HTR1A 80/4885DRD4 264/4885HTR2A 100/4885

“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.