SCHEMBL7666187

SCHEMBL7666187

CCCCC#Cc1cncc(OC[C@@H]2CCN2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.78
CHRNA4 P43681 10/20 0.78
CHRNA2 Q15822 5/20 0.78
CHRNA3 P32297 4/20 0.78
CHRNB4 P30926 2/20 0.78

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
SCHEMBL16321698 1.00 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL14940937 1.00 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
Hydrochloric Acid SCHEMBL6584361 0.99 CHRNB2 (0.76) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL7674769 0.95 CHRNB2 (0.78) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
Hydrochloric Acid SCHEMBL6584852 0.94 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL14941338 0.92 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL16321888 0.92 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL16341106 0.92 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL13322059 0.89 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4
SCHEMBL6582561 0.88 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA2CHRNA3CHRNB4

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
US-6127386-A STIMULANTS, NEUROTRANSMITTERS, CHOLINERGIC AGENTS ABBOTT LABORATORIES (US) 2000-10-03 US claimed
EP-2776030-B1 2,5-DISUBSTITUTED-PYRIDYL NICOTINIC LIGANDS, AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2020-05-13 EP disclosed
US-9993465-B2 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2018-06-12 US disclosed
US-20170035743-A1 2,5-Disubstituted-Pyridyl Nicotinic Ligands, and Methods of Use Thereof DUKE UNIVERSITY 2017-02-09 US disclosed
US-9303017-B2 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2016-04-05 US disclosed
US-9303017-B2 2,5-disubstituted-pyridyl nicotinic ligands, and methods of use thereof GEORGETOWN UNIVERSITY (US) 2016-04-05 US disclosed
US-20140378428-A1 2,5-Disubstituted-Pyridyl Nicotinic Ligands, and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2014-12-25 US disclosed
US-20140378428-A1 2,5-Disubstituted-Pyridyl Nicotinic Ligands, and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2014-12-25 US 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 (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-20140378428-A1 2,5-Disubstituted-Pyridyl Nicotinic Ligands, and Methods of Use Thereof CHRNA4, CHRNA5, OPRL1 CHRNB2 14/4885CHRNA4 1/4885CHRNA2 4/4885
US-20170035743-A1 2,5-Disubstituted-Pyridyl Nicotinic Ligands, and Methods of Use Thereof CHRNA4, CHRNA5, OPRL1 CHRNB2 14/4885CHRNA4 1/4885CHRNA2 4/4885

“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.