(-)-Epibatidine

(-)-Epibatidine

SCHEMBL2500147

Clc1ccc([C@H]2C[C@@H]3CC[C@H]2N3)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 1.00
CHRNA4 P43681 7/20 1.00
CHRNA7 P36544 4/20 1.00
CHRNB4 P30926 4/20 1.00
CHRNA3 P32297 4/20 1.00
ALDH1A1 P00352 2/20 1.00
CHRNA2 Q15822 2/20 1.00
MEN1 O00255 1/20 1.00
KMT2A Q03164 1/20 1.00
CHRNA1 P02708 1/20 1.00
CHRNG P07510 1/20 1.00
CHRNB1 P11230 1/20 1.00
HPGD P15428 1/20 1.00
CHRND Q07001 1/20 1.00
TDP1 Q9NUW8 1/20 1.00

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
Epibatidine SCHEMBL316978 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Epibatidine SCHEMBL9070584 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
(+)-Epibatidine SCHEMBL316977 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Epibatidine SCHEMBL29390446 1.00 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
(+)-Epibatidine SCHEMBL5267259 0.98 CHRNA7 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
(+)-Epibatidine SCHEMBL6264689 0.98 CHRNB2 (0.97) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Epibatidine SCHEMBL5969577 0.98 CHRNA7 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Homoepibatidine SCHEMBL29711361 0.91 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL7663147 0.84 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL13596272 0.84 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them GEORGETOWN UNIVERSITY (US) 2008-06-05 US disclosed
US-6255490-B1 TREATING DISORDERS ASSOCIATED WITH CHANGES IN CHOLINERGIC ACTIVITY; NON-OPIATE BASED ANALGESIC FOR MODERATE TO SEVERE PAIN EQUALLY OR EXCEEDING THE POTENCY OF OPIATE ANALGESICS, YET LACKING ADDICTIVE SIDE EFFECTS UNIVERSITY OF VIRGINIA 2001-07-03 US disclosed
US-6117889-A 7-Azabicyclo-[2.2.1]-heptane and -heptene derivatives as analgesics and anti-inflammatory agents UNIVERSITY OF VIRGINIA (US) 2000-09-12 US disclosed
US-6060473-A 7-azabicyclo[2.2.1]-heptane and -heptene derivatives as cholinergic receptor ligands UCB S.A. - DTB (BE) 2000-05-09 US disclosed
US-5969144-A Radiolabeled pyridyl-7-azabicyclo[2,2,1]heptanes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-10-19 US disclosed
EP-0778835-A4 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIV VIRGINIA (US) 1999-02-03 EP disclosed
EP-0778835-A1 7-AZABICYCLO 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1997-06-18 EP disclosed
US-5565573-A Synthesis of epibatidine and analogs thereof IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 1996-10-15 US disclosed
WO-1996006093-A1 7-AZABICYCLO[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS CHOLINERGIC RECEPTOR LIGANDS UNIVERSITY OF VIRGINIA (US) 1996-02-29 WO disclosed
WO-1994022868-A1 7-AZABICYCLO-[2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1994-10-13 WO 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-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them CHRNA5, OPRL1, TAAR5 CHRNB2 36/4885CHRNA4 4/4885CHRNA7 13/4885

“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.