SCHEMBL14211364

SCHEMBL14211364

C/C=C/CCC(=O)N1C2CNCC1C2

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA7 P36544 2/20 0.33
CHRNA4 P43681 2/20 0.33
PREP P48147 1/20 0.30

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
SCHEMBL14211362 0.79 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1978445 0.75 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1977601 0.74 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14211363 0.72 CCR2 (0.32) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14211260 0.70 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14211286 0.70 SMN1; SMN2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14211238 0.68 SMYD3 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14211348 0.68 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4
SCHEMBL21593659 0.68 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14211219 0.66 SMYD3 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 9/4885CHRNB4 10/4885CHRNA3 2/4885
US-20120309737-A1 3,6-Diazabicyclo[3.1.1]heptanes as Neuronal Nicotinic Acetycholine Receptor Ligands CHRNA3, CHRNA2, CHRNA6 CHRNB2 9/4885CHRNB4 10/4885CHRNA3 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.