SCHEMBL1978350

SCHEMBL1978350

O=C(c1occc1Cl)N1CC2CC(C1)N2

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 20/20 0.68
CHRNB2 P17787 16/20 0.68
CHRNA3 P32297 16/20 0.68
CHRNB4 P30926 14/20 0.68
CHRNA7 P36544 8/20 0.68
CHRNB3 Q05901 2/20 0.40
CHRNA6 Q15825 2/20 0.40

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
SCHEMBL3334192 0.84 CHRNA4 (0.74) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL585638 0.81 CHRNA4 (1.00) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL584773 0.81 CHRNA4 (1.00) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3233207 0.80 CHRNA4 (0.65) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3334736 0.77 CHRNA4 (0.73) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3336594 0.76 CHRNA4 (0.85) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3336597 0.76 CHRNA4 (0.67) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3334007 0.73 CHRNA4 (0.63) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3334376 0.72 CHRNA4 (0.82) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3335030 0.72 CHRNA4 (0.64) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802694-B2 3,6-diazabicyclo[3.1.1]heptanes as neuronal nicotinic acetycholine receptor ligands TARGACEPT, INC. (US) 2014-08-12 US claimed
US-20120309737-A1 3,6-Diazabicyclo[3.1.1]heptanes as Neuronal Nicotinic Acetycholine Receptor Ligands TARGACEPT, INC. (US) 2012-12-06 US claimed
EP-2509982-A1 3,6-DIAZABICYCLO[3.1.1]HEPTANES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Targacept, Inc. (US) 2012-10-17 EP claimed
WO-2011071758-A1 3,6-DIAZABICYCLO[3.1.1]HEPTANES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2011-06-16 WO claimed
US-20140315880-A1 3,6-DIAZABICYCLO[3.1.1]HEPTAINES AS NEURONAL NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS TARGACEPT INC (US) 2014-10-23 US disclosed
US-20140315880-A1 3,6-DIAZABICYCLO[3.1.1]HEPTAINES AS NEURONAL NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS TARGACEPT INC (US) 2014-10-23 US disclosed
US-20140315880-A1 3,6-DIAZABICYCLO[3.1.1]HEPTAINES AS NEURONAL NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS TARGACEPT INC (US) 2014-10-23 US disclosed
US-8802694-B2 3,6-diazabicyclo[3.1.1]heptanes as neuronal nicotinic acetycholine receptor ligands TARGACEPT, INC. (US) 2014-08-12 US disclosed
US-8802694-B2 3,6-diazabicyclo[3.1.1]heptanes as neuronal nicotinic acetycholine receptor ligands TARGACEPT, INC. (US) 2014-08-12 US disclosed
US-8802694-B2 3,6-diazabicyclo[3.1.1]heptanes as neuronal nicotinic acetycholine receptor ligands TARGACEPT, INC. (US) 2014-08-12 US disclosed
US-20120309737-A1 3,6-Diazabicyclo[3.1.1]heptanes as Neuronal Nicotinic Acetycholine Receptor Ligands TARGACEPT, INC. (US) 2012-12-06 US disclosed
US-20120309737-A1 3,6-Diazabicyclo[3.1.1]heptanes as Neuronal Nicotinic Acetycholine Receptor Ligands TARGACEPT, INC. (US) 2012-12-06 US disclosed
US-20120309737-A1 3,6-Diazabicyclo[3.1.1]heptanes as Neuronal Nicotinic Acetycholine Receptor Ligands TARGACEPT, INC. (US) 2012-12-06 US disclosed
EP-2509982-A1 3,6-DIAZABICYCLO[3.1.1]HEPTANES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS Targacept, Inc. (US) 2012-10-17 EP disclosed
WO-2011071758-A1 3,6-DIAZABICYCLO[3.1.1]HEPTANES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2011-06-16 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 (2 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-20140315880-A1 3,6-DIAZABICYCLO[3.1.1]HEPTAINES AS NEURONAL NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA3, CHRNA6 CHRNA4 6/4885CHRNB2 9/4885CHRNA3 2/4885
US-20120309737-A1 3,6-Diazabicyclo[3.1.1]heptanes as Neuronal Nicotinic Acetycholine Receptor Ligands CHRNA3, CHRNA2, CHRNA6 CHRNA4 8/4885CHRNB2 9/4885CHRNA3 1/4885

“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.