SCHEMBL584468

SCHEMBL584468

O=C(c1nccs1)N1CC2CNCC2C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 20/20 0.55
CHRNB2 P17787 14/20 0.55
CHRNB4 P30926 14/20 0.55
CHRNA3 P32297 14/20 0.55
CHRNA7 P36544 13/20 0.55
HTR3A P46098 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
SCHEMBL584771 0.85 CHRNA4 (0.57) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2721136 0.84 RBP4 (0.51) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL693819 0.78 MGLL (0.50)
Hydrochloric Acid SCHEMBL14813360 0.77 MGLL (0.49)
SCHEMBL694233 0.76 RBP4 (0.48)
SCHEMBL2720392 0.76 RBP4 (0.44)
SCHEMBL2130521 0.76 CYP3A4 (0.46)
SCHEMBL2130529 0.76 CYP3A4 (0.46)
SCHEMBL585420 0.76 CHRNA4 (0.51) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL30359147 0.76 ALDH1A1 (0.42)

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580434-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes ATTENUA, INC. (US) 2017-02-28 US claimed
US-20160039833-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CATALYST BIOSCIENCES, INC. 2016-02-11 US claimed
US-20150080576-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT INC (US) 2015-03-19 US claimed
US-8268860-B2 Sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2012-09-18 US claimed
EP-2284171-B1 Amides of diazabicycloalkanes selective for nicotinic acetylcholine receptor sub-types TARGACEPT INC (US) 2012-02-15 EP claimed
EP-2284171-A1 Amides of diazabicycloalkanes selective for nicotinic acetylcholine receptor sub-types Targacept, Inc. (US) 2011-02-16 EP claimed
US-20100173932-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2010-07-08 US claimed
EP-2094703-A1 NICOTINIC ACETYLCHOLINE RECEPTORSUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES Targacept, Inc. (US) 2009-09-02 EP claimed
WO-2008057938-A1 NICOTINIC ACETYLCHOLINE RECEPTORSUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2008-05-15 WO claimed
US-9580434-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes ATTENUA, INC. (US) 2017-02-28 US disclosed
US-20160039833-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CATALYST BIOSCIENCES, INC. 2016-02-11 US disclosed
US-20150080576-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT INC (US) 2015-03-19 US disclosed
US-8921410-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2014-12-30 US disclosed
US-8859609-B2 Nicotinic acetylcholine receptor sub-type selective amides of diazabicycloalkanes TARGACEPT, INC. (US) 2014-10-14 US disclosed
EP-2094703-B1 NICOTINIC ACETYLCHOLINE RECEPTORSUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT INC (US) 2011-05-11 EP disclosed
EP-2284171-A1 Amides of diazabicycloalkanes selective for nicotinic acetylcholine receptor sub-types Targacept, Inc. (US) 2011-02-16 EP disclosed
US-20100173932-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2010-07-08 US disclosed
US-20100081683-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGCEPT INC. (US) 2010-04-01 US disclosed
EP-2094703-A1 NICOTINIC ACETYLCHOLINE RECEPTORSUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES Targacept, Inc. (US) 2009-09-02 EP disclosed
WO-2008057938-A1 NICOTINIC ACETYLCHOLINE RECEPTORSUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES TARGACEPT, INC. (US) 2008-05-15 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 (4 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-20150080576-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA4, CHRNA2, CHRNE CHRNA4 1/4885CHRNB2 5/4885CHRNB4 6/4885
US-20100081683-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA7, CHRNE, CHRNA2 CHRNA4 5/4885CHRNB2 4/4885CHRNB4 9/4885
US-20100173932-A1 SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA4, CHRNA2, CHRNE CHRNA4 1/4885CHRNB2 5/4885CHRNB4 6/4885
US-20160039833-A1 NICOTINIC ACETYLCHOLINE RECEPTOR SUB-TYPE SELECTIVE AMIDES OF DIAZABICYCLOALKANES CHRNA2, CHRNE, CHRNA7 CHRNA4 4/4885CHRNB2 5/4885CHRNB4 11/4885

“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.