SCHEMBL14211186

SCHEMBL14211186

CC(C)CC(=O)N1CC2CC(C1)N2

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 0.63
CHRNA3 P32297 17/20 0.63
CHRNA4 P43681 17/20 0.63
CHRNB3 Q05901 17/20 0.63
CHRNA6 Q15825 17/20 0.63
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17190676 0.82 SMN1; SMN2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13401071 0.81 SMN1; SMN2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12197935 0.81 SMN1; SMN2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25504806 0.80 SMN1; SMN2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1711353 0.80 CHRNB2 (0.54) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15131744 0.78 SMN1; SMN2 (0.55) SMN1; SMN2POLBNPSR1L3MBTL1
SCHEMBL24974012 0.78 SMN1; SMN2 (0.59) CHRNB2CHRNA4SMN1; SMN2POLBNPSR1
SCHEMBL1978271 0.78 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19104799 0.78 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPSR1L3MBTL1
SCHEMBL15490020 0.78 SMN1; SMN2 (0.53) SMN1; SMN2POLBNPSR1L3MBTL1

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.