SCHEMBL1979277

SCHEMBL1979277

O=C(c1cc(Br)co1)N1CC2CC(C1)N2

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 20/20 0.68
CHRNB2 P17787 12/20 0.68
CHRNB4 P30926 12/20 0.68
CHRNA3 P32297 12/20 0.68
CHRNA7 P36544 6/20 0.68

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
SCHEMBL13302537 0.84 CHRNA4 (0.74) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10037529 0.81 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10037472 0.81 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL31579027 0.79 CHRNB2 (0.63) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1978200 0.74 CHRNB2 (0.71) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14211203 0.71 CHRNA4 (0.68) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL18556812 0.69 CHRNA4 (0.57) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1979418 0.68 CHRNA4 (0.68) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL13302582 0.67 CHRNA4 (0.63) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL13302590 0.67 CHRNA4 (0.74) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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 13 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
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 9/4885CHRNB4 10/4885
US-20120309737-A1 3,6-Diazabicyclo[3.1.1]heptanes as Neuronal Nicotinic Acetycholine Receptor Ligands CHRNA3, CHRNA2, CHRNA6 CHRNA4 8/4885CHRNB2 9/4885CHRNB4 10/4885

“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.