SCHEMBL5034151

SCHEMBL5034151

Clc1ccc(N2CC3CNCC(C3)C2)cn1

nearest known ligand 0.74

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 10/20 0.64
CHRNA3 P32297 10/20 0.64
CHRNB2 P17787 11/20 0.60
CHRNA4 P43681 11/20 0.60
CHRNA7 P36544 1/20 0.59

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
SCHEMBL6187620 0.92 CHRNB2 (0.63) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL650890 0.85 CHRNB2 (0.70) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL650891 0.85 CHRNB2 (0.70) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL652205 0.84 CHRNB2 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
Hydrochloric Acid SCHEMBL652204 0.84 CHRNB2 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL5379807 0.83 CHRNB4 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL5375748 0.83 CHRNB4 (0.68) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL5373931 0.83 CHRNB2 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6190513 0.83 CHRNB2 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6189093 0.83 CHRNA4 (0.57) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7

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 15 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-6815438-B2 CENTRAL NERVOUS SYSTEM DISORDERS NEUROSEARCH A/S (DK) 2004-11-09 US 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
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

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-20030004153-A1 Novel heteroaryl-diazabicycloalkanes CHRNA2, CHRNA5, CHRNA6 CHRNB4 11/4885CHRNA3 5/4885CHRNB2 6/4885
US-20030225268-A1 Diazabicyclic CNS active agents GABRE, GRIN1, CNTN1 CHRNB4 37/4885CHRNA3 23/4885CHRNB2 29/4885

“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.