SCHEMBL14211316

SCHEMBL14211316

O=C(CC1CC1)N1CC2CC(C1)N2

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 18/20 0.60
CHRNA3 P32297 18/20 0.60
CHRNA4 P43681 18/20 0.60
CHRNB3 Q05901 18/20 0.60
CHRNA6 Q15825 18/20 0.60
NAMPT P43490 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
SCHEMBL14211293 0.92 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14211347 0.92 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14211311 0.88 CHRNB2 (0.51) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14211304 0.81 CHRNB2 (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1462662 0.76 CHRNB2 (0.63) CHRNB2CHRNA3CHRNA4NAMPT
SCHEMBL1464607 0.76 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4
SCHEMBL25307104 0.75 KDM1A (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1978271 0.75 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23019192 0.74 NAMPT (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14211292 0.74 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-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-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

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 9/4885CHRNA3 2/4885CHRNA4 6/4885
US-20120309737-A1 3,6-Diazabicyclo[3.1.1]heptanes as Neuronal Nicotinic Acetycholine Receptor Ligands CHRNA3, CHRNA2, CHRNA6 CHRNB2 9/4885CHRNA3 1/4885CHRNA4 8/4885

“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.