SCHEMBL7663147

SCHEMBL7663147

Fc1ccc(C2CC3CCC2N3)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.72
CHRNA4 P43681 6/20 0.72
CHRNA7 P36544 4/20 0.72
CHRNB4 P30926 3/20 0.72
CHRNA3 P32297 3/20 0.72
ALDH1A1 P00352 2/20 0.72
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
CHRNA1 P02708 1/20 0.72
CHRNG P07510 1/20 0.72
CHRNB1 P11230 1/20 0.72
HPGD P15428 1/20 0.72
CHRND Q07001 1/20 0.72
CHRNA2 Q15822 1/20 0.72
TDP1 Q9NUW8 1/20 0.72

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
SCHEMBL13596272 1.00 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL14682057 0.91 CHRNB2 (0.74) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
(+)-Epibatidine SCHEMBL316977 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
(-)-Epibatidine SCHEMBL2500147 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Epibatidine SCHEMBL29390446 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Epibatidine SCHEMBL9070584 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Epibatidine SCHEMBL316978 0.84 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL7957936 0.83 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL8045774 0.83 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL13632123 0.83 CHRNB2 (0.70) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20090318490-A1 COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION RESEARCH TRIANGLE INSITUTE (US) 2009-12-24 US disclosed
US-6384228-B2 EPIBATIDINE; ANALGESICS; ANIMAL EXTRACTS NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-05-07 US disclosed
US-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF NIHON MEDI-PHYSICS CO., LTD. (JP) 2002-01-24 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
US-5817679-A ANALGESICS, ANTIINFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1998-10-06 US 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
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
EP-0691971-A1 7-AZABICYCLO- 2.2.1]-HEPTANE AND -HEPTENE DERIVATIVES AS ANALGESICS AND ANTI-INFLAMMATORY AGENTS UNIVERSITY OF VIRGINIA (US) 1996-01-17 EP 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 (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-20020010339-A1 METHOD FOR SYNTHESIS OF HALOPYRIDYL-ACYCLOPENTANE DERIVATIVE AND INTERMEDIATE THEREOF DHPS, ALAD, HAAO CHRNB2 4344/4885CHRNA4 4299/4885CHRNA7 3582/4885
US-20090318490-A1 COMPOUNDS AND METHODS FOR PROMOTING SMOKING CESSATION BHMT2, CBS, NNMT CHRNB2 297/4885CHRNA4 605/4885CHRNA7 782/4885

“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.