SCHEMBL651643

SCHEMBL651643

COc1cc(N2C[C@H]3CNC[C@H]32)cnc1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 20/20 1.00
CHRNA4 P43681 20/20 1.00
CHRNB4 P30926 18/20 1.00
CHRNA3 P32297 18/20 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
SCHEMBL651644 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL649298 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1526796 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652402 0.86 CHRNB2 (0.74) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL650598 0.77 CHRNB2 (0.70) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652330 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3577476 0.76 CHRNB2 (0.61) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL653386 0.75 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL652296 0.75 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1505147 0.72 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US claimed
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US claimed
JP-4676062-B2 2011-04-27 JP claimed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP claimed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP claimed
EP-1858857-B1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS LILLY CO ELI (US) 2010-12-08 EP claimed
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2010-01-21 US claimed
US-7598236-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2009-10-06 US claimed
EP-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP claimed
US-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2008-04-24 US claimed
WO-2004016604-A2 AZABICYCLIC COMPOUNDS ARE CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2004-02-26 WO 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-1147112-B1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LAB (US) 2003-10-29 EP claimed
EP-1284976-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2003-02-26 EP claimed
JP-2002535409-A 2002-10-22 JP claimed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 US claimed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 WO claimed
EP-1147112-A1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2001-10-24 EP claimed
WO-2000044755-A1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2000-08-03 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB2 10/4885CHRNA4 11/4885CHRNB4 15/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB2 10/4885CHRNA4 11/4885CHRNB4 15/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 CHRNB2 11/4885CHRNA4 8/4885CHRNB4 15/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 CHRNB2 10/4885CHRNA4 11/4885CHRNB4 15/4885
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.