SCHEMBL5041409

SCHEMBL5041409

CN1C2CCC1CN(c1ccc(Cl)nc1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.53
CHRNA4 P43681 6/20 0.53
CHRNB4 P30926 5/20 0.53
CHRNA3 P32297 5/20 0.53

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
SCHEMBL5832776 0.94 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3579509 0.87 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6625195 0.82 DPP4 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6626133 0.82 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5832405 0.82 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13385519 0.81 NOTUM (0.50)
SCHEMBL3057878 0.78 NOTUM (0.54)
SCHEMBL6626078 0.77 DPP4 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6626577 0.77 L3MBTL3 (0.35) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5832150 0.77 CHRNB2 (0.48) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177196-B1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2004-03-10 EP claimed
US-6552012-B2 3-(6-Chloro-(3-pyridazinyl))-9-methyl-3,9-diazabicyclo(4.2.1)-nonane, for example; Alzheimer's disease, Parkinson's disease, memory dysfunction, smoking cessation, drug abuse, drug dependence; cholinergic ligands NEUROSEARCH A/S (DK) 2003-04-22 US claimed
JP-2002543201-A 2002-12-17 JP claimed
CN-1349533-A Heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2002-05-15 CN claimed
US-20020037893-A1 Heteroaryl diazabicycloalkanes, their preparation and use ANIONA APS (DK) 2002-03-28 US claimed
EP-1177196-A1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2002-02-06 EP claimed
WO-2000066586-A1 HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2000-11-09 WO claimed
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
CN-1210277-C Heteroaryl diazabicycloalkanes, their prepn. and use NEUROSEARCH AS (DK) 2005-07-13 CN 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-6552012-B2 3-(6-Chloro-(3-pyridazinyl))-9-methyl-3,9-diazabicyclo(4.2.1)-nonane, for example; Alzheimer's disease, Parkinson's disease, memory dysfunction, smoking cessation, drug abuse, drug dependence; cholinergic ligands NEUROSEARCH A/S (DK) 2003-04-22 US disclosed
CN-1349533-A Heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH AS (DK) 2002-05-15 CN disclosed
US-20020037893-A1 Heteroaryl diazabicycloalkanes, their preparation and use ANIONA APS (DK) 2002-03-28 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 (2 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-20020037893-A1 Heteroaryl diazabicycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA2 CHRNB2 4/4885CHRNA4 13/4885CHRNB4 14/4885
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.