SCHEMBL1463603

SCHEMBL1463603

COCCC(=O)N1CC2CNCC2C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 19/20 0.61
CHRNB2 P17787 16/20 0.61
CHRNA3 P32297 16/20 0.61
CHRNB4 P30926 15/20 0.61
CHRNA7 P36544 13/20 0.61
CHRNB3 Q05901 1/20 0.39
CHRNA6 Q15825 1/20 0.39

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
SCHEMBL1463764 0.83 CHRNB2 (0.63) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL1462816 0.82 CHRNA4 (0.65) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL1463817 0.80 CHRNA4 (0.72) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL1464721 0.77 CHRNA4 (0.68) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL1980385 0.77 CHRNB2 (0.66) CHRNA4CHRNB2CHRNA3CHRNB3CHRNA6
SCHEMBL1463430 0.77 CHRNB2 (0.61) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL14222416 0.76 CHRNA4 (1.00) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL3405917 0.76 CHRNA4 (1.00) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL1462657 0.76 CHRNA4 (1.00) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL25075970 0.74 ALDH1A1 (0.36) CHRNA4CHRNB2CHRNA3CHRNB3CHRNA6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2011-03-24 US claimed
EP-2257549-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES Targacept Inc. (US) 2010-12-08 EP claimed
WO-2009111550-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES TARGACEPT, INC. (US) 2009-09-11 WO claimed
US-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2011-03-24 US disclosed
US-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2011-03-24 US disclosed
US-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2011-03-24 US disclosed
WO-2009111550-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES TARGACEPT, INC. (US) 2009-09-11 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 (1 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-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA7, CHRNA2, CHRNA5 CHRNA4 6/4885CHRNB2 4/4885CHRNA3 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.