SCHEMBL373497

SCHEMBL373497

c1cnc2oc(N3CCN4CCC3CC4)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.65
HTR3A P46098 3/20 0.65
KCNH2 Q12809 2/20 0.62
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48

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
SCHEMBL5909647 0.92 CHRNA7 (0.55) CHRNA7HTR3AKCNH2CHRM4CHRM5
SCHEMBL5909648 0.92 CHRNA7 (0.55) CHRNA7HTR3AKCNH2CHRM4CHRM5
SCHEMBL373021 0.79 HTR3A (1.00) CHRNA7HTR3AKCNH2CHRM4CHRM5
SCHEMBL4699052 0.78 HTR3A (1.00) CHRNA7HTR3AKCNH2CHRM4CHRM5
SCHEMBL4698821 0.78 KCNH2 (0.67) CHRNA7HTR3AKCNH2
SCHEMBL5249142 0.77 KCNH2 (0.56) CHRNA7HTR3AKCNH2
SCHEMBL6139385 0.76 KCNH2 (1.00) CHRNA7HTR3AKCNH2
SCHEMBL4698519 0.76 KCNH2 (0.73) CHRNA7HTR3AKCNH2
SCHEMBL6139396 0.76 KCNH2 (0.73) CHRNA7HTR3AKCNH2CHRM4CHRM5
Bromide SCHEMBL5674269 0.75 KCNH2 (0.72) CHRNA7HTR3AKCNH2CHRM4CHRM5

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439236-B2 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC (US) 2008-10-21 US claimed
EP-1219622-B1 Pharmaceutical compositions for CNS and other disorders PFIZER PROD INC (US) 2008-06-18 EP claimed
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER INC 2007-05-03 US claimed
EP-1699488-A2 THERAPEUTIC COMBINATION FOR COGNITION ENHANCEMENT AND PSYCHOTIC DISORDERS Pfizer Products Incorporated (US) 2006-09-13 EP claimed
US-20050215571-A1 Therapeutic combination for cognititon enhancement and psychotic disorders PFIZER INC. 2005-09-29 US claimed
WO-2005063296-A2 THERAPEUTIC COMBINATION FOR COGNITION ENHANCEMENT AND PSYCHOTIC DISORDERS PFIZER PRODUCTS INC. (US) 2005-07-14 WO claimed
US-6809094-B2 N-FUSED HETERCYCLO-1,4- OR -1,5- DIAZABICYCLO DERIVATIVES; NICOTINIC RECEPTOR AGONISTS; CENTRAL NERVOUS SYSTEM (CNS) PFIZER INC 2004-10-26 US claimed
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS TARGACEPT, INC. (US) 2014-08-21 US disclosed
EP-2484363-A1 (2S,3R)-N-(2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl)-5-methylthiophene-2-carboxamide Targacept, Inc. (US) 2012-08-08 EP disclosed
EP-2409703-A1 Treatment with alpha7-selective ligands Targacept, Inc. (US) 2012-01-25 EP disclosed
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-10-27 US disclosed
EP-2364150-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS Targacept Inc. (US) 2011-09-14 EP disclosed
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS TARGACEPT, INC. (US) 2011-05-26 US disclosed
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC 2004-10-14 US disclosed
EP-1451197-A1 4-(OXAZOLOPYRIDIN-2-YL)-1,4-DIAZABICYCLO- 3.2.2 NONANE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2004-09-01 EP disclosed
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC. 2003-06-26 US disclosed
WO-2003044024-A1 4-(OXAZOLOPYRIDIN-2-YL)-1,4-DIAZABICYCLO-[3.2.2]NONANE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-05-30 WO disclosed
WO-2003044024-A1 4-(OXAZOLOPYRIDIN-2-YL)-1,4-DIAZABICYCLO-[3.2.2]NONANE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-05-30 WO disclosed
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders O'NEILL BRIAN THOMAS (US) 2002-07-04 US disclosed
EP-1219622-A2 Pharmaceutical compositions for CNS and other disorders Pfizer Products Inc. (US) 2002-07-03 EP 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 (8 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-20050215571-A1 Therapeutic combination for cognititon enhancement and psychotic disorders CHRNA3, CHRNA7, CHRNA2 CHRNA7 2/4885HTR3A 66/4885KCNH2 1103/4885
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 CHRNA7 1/4885HTR3A 147/4885KCNH2 1560/4885
US-20140234270-A1 TREATMENT WTH ALPHAT SELECTIVE LIGANDS CHRNA7, CHRNA2, CHRNA4 CHRNA7 1/4885HTR3A 234/4885KCNH2 686/4885
US-20110124678-A1 TREATMENT WITH ALPHA 7-SELECTIVE LIGANDS CHRNA7, CHRNA1, CHRNG CHRNA7 1/4885HTR3A 152/4885KCNH2 550/4885
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 CHRNA7 1/4885HTR3A 147/4885KCNH2 1560/4885
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS C1QBP, BCHE, BDNF CHRNA7 75/4885HTR3A 462/4885KCNH2 1166/4885
US-20110262407-A1 TREATMENT WITH ALPHA7 SELECTIVE LIGANDS CHRNA7, CHRNA4, CHRNA2 CHRNA7 1/4885HTR3A 214/4885KCNH2 1177/4885
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 CHRNA7 1/4885HTR3A 147/4885KCNH2 1560/4885

“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.