SCHEMBL6587381

SCHEMBL6587381

c1ccc(-c2cncc(OC[C@@H]3CCN3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 1.00
CHRNA4 P43681 4/20 1.00
KDM4E B2RXH2 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
CHRNA3 P32297 1/20 0.59
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
SCHEMBL14941047 1.00 CHRNB2 (1.00) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6584096 0.99 CHRNB2 (0.97) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
Hydrochloric Acid SCHEMBL6585349 0.99 CHRNB2 (0.97) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL6585946 0.91 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA3
SCHEMBL6584663 0.91 CHRNB2 (0.83) CHRNB2CHRNA4CHRNA3
Hydrochloric Acid SCHEMBL6588481 0.90 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA3
Hydrochloric Acid SCHEMBL6583887 0.90 CHRNB2 (0.81) CHRNB2CHRNA4CHRNA3
SCHEMBL6583461 0.86 CHRNB2 (0.75) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL6584512 0.86 CHRNB2 (0.75) CHRNB2CHRNA4KDM4ECYP1A2CYP2D6
SCHEMBL2186420 0.85 CHRNB2 (0.73) CHRNB2CHRNA4CHRNA3CHRNA7

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 22 patents — showing the first 20. 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
EP-0934308-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1999-08-11 EP claimed
WO-1997046554-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1997-12-11 WO claimed
EP-2776423-B1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2020-05-06 EP disclosed
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-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
EP-2776423-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF Georgetown University (US) 2014-09-17 EP disclosed
WO-2013071067-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2013-05-16 WO 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
EP-0934308-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1999-08-11 EP disclosed
WO-1997046554-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1997-12-11 WO 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 (1 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-20170107197-A1 PHENYL-SUBSTITUTED NICOTINIC LIGANDS, AND METHODS OF USE THEREOF PSEN1, PNMT, OPRL1 CHRNB2 56/4885CHRNA4 12/4885KDM4E 3852/4885

“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.