SCHEMBL4908874

SCHEMBL4908874

CN1CCC[C@H]1COc1cnc(Cl)c(/C=C/c2ccncc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.72
CHRNA3 P32297 4/20 0.72
CHRNB1 P11230 3/20 0.72
CHRNB2 P17787 3/20 0.72
CHRNB3 Q05901 3/20 0.72
CHRNA7 P36544 1/20 0.58
AKT1 P31749 1/20 0.55

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
SCHEMBL6584767 1.00 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL4908878 1.00 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL6584774 1.00 CHRNB4 (0.72) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
Hydrochloric Acid SCHEMBL6583319 0.99 CHRNB4 (0.71) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
Hydrochloric Acid SCHEMBL8851513 0.99 CHRNB4 (0.71) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
Hydrochloric Acid SCHEMBL6583323 0.99 CHRNB4 (0.71) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
Hydrochloric Acid SCHEMBL8851521 0.99 CHRNB4 (0.71) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
Hydrochloric Acid SCHEMBL7691195 0.99 CHRNB4 (0.71) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
Hydrochloric Acid SCHEMBL6586090 0.99 CHRNB4 (0.71) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3
SCHEMBL6583359 0.84 CHRNB2 (1.00) CHRNB4CHRNA3CHRNB1CHRNB2CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP claimed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US claimed
US-10098970-B2 Compostions and methods for diagnosis of axial pain with or without radiculopathy WARSAW ORTHOPEDIC, INC. (US) 2018-10-16 US disclosed
US-9757476-B2 Compositions and methods for diagnosis of axial pain with or without radiculopathy WARSAW ORTHOPEDIC, INC. (US) 2017-09-12 US disclosed
US-20170216459-A1 COMPOSTIONS AND METHODS FOR DIAGNOSIS OF AXIAL PAIN WITH OR WITHOUT RADICULOPATHY WARSAW ORTHOPEDIC INC (US) 2017-08-03 US disclosed
US-8333697-B2 Diagnostic kits and methods for diagnosis of axial pain with or without radiculopathy WARSAW ORTHOPEDIC, INC. (US) 2012-12-18 US disclosed
US-20080008988-A1 Compositions and methods for diagnosis of axial pain with or without radiculopathy MEDTRONIC, INC. 2008-01-10 US disclosed
US-20070298407-A1 Diagnostic kits and methods for diagnosis of axial pain with or without radiculopathy MEDTRONIC, INC. 2007-12-27 US disclosed
US-20070287991-A1 Devices and methods for detection of markers of axial pain with or without radiculopathy MEDTRONIC, INC. 2007-12-13 US disclosed
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP disclosed
US-6437138-B1 5-BROMO-6-CHLORO-3-(2-(S)-AZETIDINYL OR PYRROLIDINYL-METHOXY) PYRIDINE INTERMEDIATES FOR THE 5-SUBSTITUTED COMPOUNDS WHICH ARE POTENT LIGANDS AT NEURONAL NICOTINIC CHOLINERGIC CHANNEL RECEPTORS, NEUROTRANSMITTER CONTROLLING AGENTS ABBOTT LABORATORIES 2002-08-20 US disclosed
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US disclosed
US-5629325-A TREATMENT OF NERVOUS SYSTEM DISORDERS; NEURONAL NICOTINIC CHOLINERGIC COMPOUNDS ABBOTT LABORATORIES (US) 1997-05-13 US disclosed