SCHEMBL1463491

SCHEMBL1463491

CC(C)C(=O)N1CC2CNCC2C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 20/20 0.61
CHRNB2 P17787 18/20 0.61
CHRNA3 P32297 18/20 0.61
CHRNB4 P30926 17/20 0.61
CHRNB3 Q05901 1/20 0.57
CHRNA6 Q15825 1/20 0.57
CHRNA7 P36544 15/20 0.55

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
SCHEMBL23714410 1.00 CHRNA4 (0.61) CHRNA4CHRNB2CHRNA3CHRNB4CHRNB3
SCHEMBL12413695 1.00 CHRNA4 (0.61) CHRNA4CHRNB2CHRNA3CHRNB4CHRNB3
SCHEMBL29921257 0.82 CHRNA4 (0.55) CHRNA4CHRNB2CHRNA3CHRNB4CHRNB3
SCHEMBL1463515 0.81 CHRNB2 (0.58) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL16219020 0.80 CHRNB2 (0.63) CHRNA4CHRNB2CHRNA3CHRNB4CHRNB3
SCHEMBL22991233 0.80 CHRNB2 (0.63) CHRNA4CHRNB2CHRNA3CHRNB4CHRNB3
SCHEMBL1463505 0.80 CHRNB2 (0.63) CHRNA4CHRNB2CHRNA3CHRNB4CHRNB3
SCHEMBL1463824 0.79 CHRNA4 (0.55) CHRNA4CHRNB2CHRNA3CHRNB4CHRNA7
SCHEMBL18348011 0.77 CHRNB2 (0.53) CHRNA4CHRNB2CHRNA3CHRNB4CHRNB3
SCHEMBL24869655 0.77 CHRNB2 (0.53) CHRNA4CHRNB2CHRNA3CHRNB4CHRNB3

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 10 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
WO-2021154668-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-05 WO 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
US-20110071180-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2011-03-24 US disclosed
EP-2257549-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES Targacept Inc. (US) 2010-12-08 EP disclosed
WO-2009111550-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOAL KANES TARGACEPT, INC. (US) 2009-09-11 WO 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.