SCHEMBL1978998

SCHEMBL1978998

COC(C)OC(=O)N1CC2CC(C1)N2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 20/20 0.53
CHRNA4 P43681 20/20 0.53
CHRNA3 P32297 19/20 0.53
CHRNB3 Q05901 18/20 0.53
CHRNA6 Q15825 18/20 0.53
CHRNB4 P30926 1/20 0.36

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
SCHEMBL1979172 0.84 CHRNB2 (0.58) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL6863487 0.77 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL28881905 0.72 CYP1A2 (0.39)
SCHEMBL14709891 0.71 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL26396981 0.71 ALDH1A1 (0.41)
SCHEMBL1978059 0.70 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL25409415 0.69 NR1H2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL1979623 0.69 NR1H2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL994561 0.69 NR1H2 (0.56) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL1979000 0.69 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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 9 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-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
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 CHRNB2 9/4885CHRNA4 6/4885CHRNA3 2/4885
US-20120309737-A1 3,6-Diazabicyclo[3.1.1]heptanes as Neuronal Nicotinic Acetycholine Receptor Ligands CHRNA3, CHRNA2, CHRNA6 CHRNB2 9/4885CHRNA4 8/4885CHRNA3 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.