SCHEMBL2499415

SCHEMBL2499415

CN1CCC[C@H]1COc1cncc(C#CCCCCO)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 15/20 1.00
CHRNB2 P17787 14/20 1.00
CHRNB4 P30926 8/20 0.74
CHRNA2 Q15822 2/20 0.67
CHRNB1 P11230 3/20 0.66
CHRNB3 Q05901 3/20 0.66
CHRNA4 P43681 5/20 0.63

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
SCHEMBL2503389 0.99 CHRNA3 (1.00) CHRNA3CHRNB2CHRNB4CHRNA2CHRNB1
SCHEMBL14303749 0.99 CHRNA3 (1.00) CHRNA3CHRNB2CHRNB4CHRNA2CHRNB1
Hydrochloric Acid SCHEMBL6581830 0.99 CHRNA3 (0.98) CHRNA3CHRNB2CHRNB4CHRNA2CHRNB1
SCHEMBL13322058 0.91 CHRNB2 (0.94) CHRNA3CHRNB2CHRNB4CHRNA2CHRNB1
SCHEMBL6584306 0.90 CHRNB2 (0.92) CHRNA3CHRNB2CHRNB4CHRNA2CHRNB1
SCHEMBL6584638 0.90 CHRNB2 (0.92) CHRNA3CHRNB2CHRNB4CHRNA2CHRNB1
SCHEMBL12122171 0.90 CHRNA3 (1.00) CHRNA3CHRNB2CHRNB4CHRNA2CHRNB1
SCHEMBL14311700 0.90 CHRNA3 (0.81) CHRNA3CHRNB2CHRNB4CHRNA2CHRNB1
SCHEMBL7672186 0.90 CHRNB2 (0.92) CHRNA3CHRNB2CHRNB4CHRNA2CHRNB1
SCHEMBL12190831 0.90 CHRNA3 (0.81) CHRNA3CHRNB2CHRNB4CHRNA2CHRNB1

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 16 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
US-8729103-B2 Silent desensitizers of neuronal nAChR and methods of use thereof GEORGETOWN UNIVERSITY (US) 2014-05-20 US disclosed
US-8642612-B2 Nicotinic desensitizers and methods of selecting, testing, and using them POTOMAC PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-8642612-B2 Nicotinic desensitizers and methods of selecting, testing, and using them POTOMAC PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-20110281836-A1 Silent desensitizers of neuronal NACHR and methods of use thereof PSYCHOGENICS, INC. (US) 2011-11-17 US disclosed
US-20110269733-A1 Silent Desensitizers of Neuronal nAChR and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-11-03 US disclosed
US-8030300-B2 2-pyrrolidinyloxy-substituted pyridine; Alzheimer's disease, Parkinson's disease, dyskinesias, Tourette's syndrome, schizophrenia, attention deficit disorder, anxiety, pain, depression, obsessive compulsive disorder GEORGETOWN UNIVERSITY (US) 2011-10-04 US disclosed
US-8030300-B2 2-pyrrolidinyloxy-substituted pyridine; Alzheimer's disease, Parkinson's disease, dyskinesias, Tourette's syndrome, schizophrenia, attention deficit disorder, anxiety, pain, depression, obsessive compulsive disorder GEORGETOWN UNIVERSITY (US) 2011-10-04 US disclosed
US-20100129291-A1 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM BETHESDA PHARMACOLOGY ASSOCIATES (US) 2010-05-27 US disclosed
US-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them GEORGETOWN UNIVERSITY (US) 2008-06-05 US disclosed
US-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them GEORGETOWN UNIVERSITY (US) 2008-06-05 US disclosed
WO-2005000806-A2 LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, AND METHODS OF MAKING AND USING THEM GEORGETOWN UNIVERSITY (US) 2005-01-06 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
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 (4 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-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them CHRNA5, OPRL1, TAAR5 CHRNA3 20/4885CHRNB2 36/4885CHRNB4 26/4885
US-20100129291-A1 NICOTINIC DESENSITIZERS AND METHODS OF SELECTING, TESTING, AND USING THEM CHRNA5, CHRNA2, CHRNA10 CHRNA3 10/4885CHRNB2 7/4885CHRNB4 11/4885
US-20110281836-A1 Silent desensitizers of neuronal NACHR and methods of use thereof CHRNA2, CHRNA5, CHRNB2 CHRNA3 9/4885CHRNB2 3/4885CHRNB4 5/4885
US-20110269733-A1 Silent Desensitizers of Neuronal nAChR and Methods of Use Thereof CHRNA2, CHRNA5, CHRNB2 CHRNA3 9/4885CHRNB2 3/4885CHRNB4 5/4885

“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.