SCHEMBL3576177

SCHEMBL3576177

CN1C2CCCC1CN(c1ccc(Cl)cn1)C2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.50
HTR1A P08908 2/20 0.50
HTR2A P28223 2/20 0.50
SLC6A4 P31645 2/20 0.50
HTR7 P34969 2/20 0.50
DRD3 P35462 2/20 0.50
DRD2 P14416 2/20 0.46
HTR2C P28335 1/20 0.46
PDE10A Q9Y233 1/20 0.44
CNR2 P34972 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
HRH4 Q9H3N8 1/20 0.40
CHIA Q9BZP6 1/20 0.39
PANK3 Q9H999 1/20 0.38
DEGS1 O15121 1/20 0.38
OGA O60502 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GRM4 Q14833 1/20 0.37

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
SCHEMBL22569545 0.94 DRD4 (0.55) DRD4HTR1AHTR2ASLC6A4HTR7
SCHEMBL21262207 0.88 DRD4 (0.49) DRD4HTR1AHTR2ASLC6A4HTR7
SCHEMBL3564137 0.82 HTR1A (0.34) DRD4HTR1AHTR2ASLC6A4HTR7
SCHEMBL3581854 0.82 PDE10A (0.44) DRD4HTR1AHTR2ASLC6A4HTR7
SCHEMBL12683431 0.77 CNR2 (0.46) DRD4HTR1AHTR2ASLC6A4HTR7
SCHEMBL3574996 0.77 CHRNB2 (0.56)
SCHEMBL3568341 0.77 CHRNB2 (0.53) DRD4HTR1AHTR2ASLC6A4HTR7
SCHEMBL3384444 0.76 HRH4 (0.59) HTR1APDE10AHRH4
SCHEMBL2677317 0.76 ACACB (0.49)
Hydrochloric Acid SCHEMBL3578509 0.76 CHRNB2 (0.51) DRD4HTR1AHTR2ASLC6A4HTR7

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 DRD4 264/4885HTR1A 80/4885HTR2A 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.