SCHEMBL2300523

SCHEMBL2300523

CC(C)(C)OC(=O)N1CC[C@@H]1COc1cncc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.55
CHRNA4 P43681 5/20 0.55
CHRNA3 P32297 3/20 0.44
CHRNB4 P30926 2/20 0.44
UCHL1 P09936 1/20 0.42
USP30 Q70CQ3 1/20 0.42
CHRNA2 Q15822 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB3 Q05901 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
GPR119 Q8TDV5 2/20 0.39

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
SCHEMBL2185913 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL6586600 1.00 CHRNB2 (0.55) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL3358944 0.96 CHRNB2 (0.51) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL6587123 0.94 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL3357692 0.94 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL2495176 0.94 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
Hydrochloric Acid SCHEMBL6584130 0.93 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL6583433 0.92 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL6583899 0.91 CHRNB2 (0.46) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1
SCHEMBL6857856 0.90 CHRNB2 (0.52) CHRNB2CHRNA4CHRNA3CHRNB4UCHL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776423-B1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2020-05-06 EP disclosed
US-9994548-B2 Phenyl-substituted nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2018-06-12 US disclosed
US-9994548-B2 Phenyl-substituted nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2018-06-12 US disclosed
US-20170107197-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
US-20170107197-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
US-20170107197-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
US-9346784-B2 Phenyl-substituted nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2016-05-24 US disclosed
US-9346784-B2 Phenyl-substituted nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2016-05-24 US disclosed
US-9346784-B2 Phenyl-substituted nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2016-05-24 US disclosed
US-20140323461-A1 Phenyl-Substituted Nicotinic Ligands, and Methods of Use Thereof DUKE UNIVERSITY 2014-10-30 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 WO disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 WO disclosed
EP-0934308-B1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LAB (US) 2004-08-11 EP disclosed
EP-0950057-B1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LAB (US) 2002-11-13 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-6403575-B1 ANTI-INFLAMMATORIES ABBOTT LABORATORIES 2002-06-11 US disclosed
US-6133253-A NEURONAL CELL DEATH PREVENTORS AND ANTI-INFLAMMATORIES ABBOTT LABORATORIES (US) 2000-10-17 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

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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNA3 6/4885
US-20170107197-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF PSEN1, PNMT, OPRL1 CHRNB2 56/4885CHRNA4 12/4885CHRNA3 62/4885
US-20140323461-A1 Phenyl-Substituted Nicotinic Ligands, and Methods of Use Thereof PSEN1, PNMT, OPRL1 CHRNB2 56/4885CHRNA4 12/4885CHRNA3 62/4885

“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.