SCHEMBL1759018

SCHEMBL1759018

c1c[nH]c(-c2nnc(N3CCN4CCC3CC4)o2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.61
HTR3A P46098 4/20 0.47
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
KCNH2 Q12809 3/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL2638156 0.82 CHRNA7 (0.61) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL1753505 0.80 CHRNA7 (0.78) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL2641617 0.79 CHRNA7 (0.57) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL1396007 0.77 CHRNA7 (0.70) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL2638541 0.77 CHRNA7 (0.78) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL2638329 0.77 CHRNA7 (0.61) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL4035497 0.77 CHRNA7 (0.55) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL4037936 0.76 CHRNA7 (0.57) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL2638666 0.76 CHRNA7 (0.68) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
SCHEMBL1689257 0.76 CHRNA7 (0.68) CHRNA7HTR3ACHRNB4CHRNA3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130004428-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2013-01-03 US claimed
EP-2513097-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch AS (DK) 2012-10-24 EP claimed
JP-4711391-B2 2011-06-29 JP claimed
WO-2011073296-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-06-23 WO claimed
EP-1785425-A2 Novel 1,4-diazabicycloalkane derivatives, their preparation and use NeuroSearch A/S (DK) 2007-05-16 EP claimed
US-20060122172-A1 Novel 1,4-diazabicycloalkane derivatives, their preparation and use DANPET AB (SE) 2006-06-08 US claimed
EP-1551835-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NeuroSearch A/S (DK) 2005-07-13 EP claimed
WO-2004029053-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2004-04-08 WO claimed
US-8986654-B2 Labelled and un-labelled methyl-pyrrolyl-oxadiazolyl-diazabicyclononane derivatives and their medical use DANPET AB (SE) 2015-03-24 US disclosed
US-8946412-B2 Diazabicyclononyl oxadiazole compounds and their use as nicotinic acetylcholine receptor modulators DANPET AB (SE) 2015-02-03 US disclosed
US-20140030190-A1 LABELLED AND UN-LABELLED METHYL-PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE DANPET AB (SE) 2014-01-30 US disclosed
US-20130004428-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2013-01-03 US disclosed
US-20120288443-A1 LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS NEUROSEARCH A/S (DK) 2012-11-15 US disclosed
EP-2513097-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NeuroSearch AS (DK) 2012-10-24 EP disclosed
EP-1785425-B1 1,4-Diazabicycloalkane derivatives, their preparation and use NEUROSEARCH AS (DK) 2009-03-25 EP disclosed
US-7220741-B2 1,4-diazabicycloalkane derivatives, their preparation and use NEUROSEARCH A/S (DK) 2007-05-22 US disclosed
EP-1785425-A2 Novel 1,4-diazabicycloalkane derivatives, their preparation and use NeuroSearch A/S (DK) 2007-05-16 EP disclosed
US-20060122172-A1 Novel 1,4-diazabicycloalkane derivatives, their preparation and use DANPET AB (SE) 2006-06-08 US disclosed
EP-1551835-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NeuroSearch A/S (DK) 2005-07-13 EP disclosed
WO-2004029053-A1 NOVEL 1,4-DIAZABICYCLOALKANE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2004-04-08 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 (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-20120288443-A1 LABELLED PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR USE IN DIAGNOSTIC METHODS GRM3, SSTR3, OXGR1 CHRNA7 224/4885HTR3A 151/4885CHRNB4 275/4885
US-20060122172-A1 Novel 1,4-diazabicycloalkane derivatives, their preparation and use CHRNA5, CHRNA7, CHRNA6 CHRNA7 2/4885HTR3A 164/4885CHRNB4 8/4885
US-20140030190-A1 LABELLED AND UN-LABELLED METHYL-PYRROLYL-OXADIAZOLYL-DIAZABICYCLONONANE DERIVATIVES AND THEIR MEDICAL USE GRM3, CNR1, CNR2 CHRNA7 213/4885HTR3A 128/4885CHRNB4 319/4885
US-20130004428-A1 DIAZABICYCLONONYL OXADIAZOLE COMPOUNDS AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA3, CHRNA1, CHRNA5 CHRNA7 7/4885HTR3A 131/4885CHRNB4 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.