SCHEMBL3570919

SCHEMBL3570919

c1ccc(N2CC3CCCC(C2)N3)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.49
PLD1 Q13393 1/20 0.49
GRIN2B Q13224 4/20 0.46
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
USP2 O75604 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL26361947 0.93 PLD1 (0.51) GRM1PLD1GRIN2BCHRNB2CHRNA4
SCHEMBL30734163 0.93 PLD1 (0.51) GRM1PLD1GRIN2BCHRNB2CHRNA4
SCHEMBL13149760 0.76 PLD1 (0.51) GRM1PLD1GRIN2BKDM4EALDH1A1
SCHEMBL31400617 0.76 PLD1 (0.51) GRM1PLD1GRIN2BKDM4EALDH1A1
SCHEMBL4661349 0.76 PLD1 (0.51) GRM1PLD1GRIN2BKDM4EALDH1A1
SCHEMBL3568341 0.74 CHRNB2 (0.53) CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3578509 0.73 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL23875353 0.73 PLD1 (0.52) GRM1PLD1GRIN2BKDM4EALDH1A1
SCHEMBL2002068 0.73 PLD1 (0.52) GRM1PLD1GRIN2BKDM4EALDH1A1
SCHEMBL16059500 0.73 DPP4 (0.58) GRM1PLD1GRIN2BKDM4EALDH1A1

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 8 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
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 GRM1 235/4885PLD1 1879/4885GRIN2B 229/4885

“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.