SCHEMBL5034095

SCHEMBL5034095

c1cncc(N2CC3CNCC(C3)C2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 1.00
CHRNA4 P43681 13/20 1.00
CHRNB4 P30926 8/20 1.00
CHRNA3 P32297 8/20 1.00
CHRNA7 P36544 2/20 1.00

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
SCHEMBL6187382 0.90 CHRNB2 (0.82) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL15155856 0.87 CHRNB2 (0.76) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL7685443 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5384904 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5389396 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL651796 0.83 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL651797 0.83 CHRNB2 (0.97) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5038358 0.82 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL652246 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL652245 0.82 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1274710-B1 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH AS (DK) 2005-02-23 EP claimed
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US claimed
EP-1359152-A2 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LABORATORIES (US) 2003-11-05 EP claimed
EP-1274710-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NeuroSearch A/S (DK) 2003-01-15 EP claimed
US-20030004153-A1 Novel heteroaryl-diazabicycloalkanes NEUROSEARCH A/S (DK) 2003-01-02 US claimed
WO-2001044243-A2 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH A/S (DK) 2001-06-21 WO claimed
US-20150031675-A1 DIAZABICYCLO[3.3.1]NONANES, METHODS OF SYNTHESIS, AND USES THEREOF TARGACEPT INC (US) 2015-01-29 US disclosed
WO-2013116413-A1 DIAZABICYCLO[3.3.1]NONANES, METHODS OF SYNTHESIS, AND USES THEREOF TARGACEPT, INC. (US) 2013-08-08 WO disclosed
EP-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP disclosed
US-7265115-B2 Diazabicyclic CNS active agents ABBOTT LABORATORIES (US) 2007-09-04 US disclosed
EP-1274710-B1 NOVEL HETEROARYL-DIAZABICYCLOALKANES NEUROSEARCH AS (DK) 2005-02-23 EP disclosed
US-6815438-B2 CENTRAL NERVOUS SYSTEM DISORDERS NEUROSEARCH A/S (DK) 2004-11-09 US disclosed
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US disclosed
EP-1359152-A2 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LABORATORIES (US) 2003-11-05 EP disclosed
EP-1147112-B1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LAB (US) 2003-10-29 EP disclosed
US-20030004153-A1 Novel heteroaryl-diazabicycloalkanes NEUROSEARCH A/S (DK) 2003-01-02 US disclosed
US-6440970-B1 ACTIVATING NICOTINIC CHOLERGINIC RECEPTORS TARGACEPT, INC. 2002-08-27 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 (3 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-20030004153-A1 Novel heteroaryl-diazabicycloalkanes CHRNA2, CHRNA5, CHRNA6 CHRNB2 6/4885CHRNA4 8/4885CHRNB4 11/4885
US-20150031675-A1 DIAZABICYCLO[3.3.1]NONANES, METHODS OF SYNTHESIS, AND USES THEREOF CHRNA3, CHRNA5, CHRNB3 CHRNB2 7/4885CHRNA4 5/4885CHRNB4 10/4885
US-20030225268-A1 Diazabicyclic CNS active agents GABRE, GRIN1, CNTN1 CHRNB2 29/4885CHRNA4 14/4885CHRNB4 37/4885

“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.