SCHEMBL4078100

SCHEMBL4078100

CN(C)C(=O)c1ccc(-c2ccc3c(c2)C(=O)N([C@H]2CN4CCC2CC4)C3)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.45
KCNH2 Q12809 2/20 0.41
HTR1A P08908 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR3B O95264 1/20 0.38
ADRA2A P08913 1/20 0.38
KCNE1 P15382 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
CHRNA4 P43681 1/20 0.38
KCNQ1 P51787 1/20 0.38
SCN5A Q14524 1/20 0.38
OTUD7B Q6GQQ9 1/20 0.37

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
SCHEMBL4078104 1.00 HTR3A (0.45) HTR3AKCNH2HTR1AHRH3HTR3B
SCHEMBL4079030 0.82 HTR3A (0.52) HTR3AKCNH2HTR3BADRA2AKCNE1
SCHEMBL13765321 0.82 HTR3A (0.52) HTR3AKCNH2HTR3BADRA2AKCNE1
SCHEMBL13765324 0.82 HTR3A (0.48) HTR3AKCNH2HTR3BADRA2AKCNE1
SCHEMBL4083460 0.82 HTR3A (0.48) HTR3AKCNH2HTR3BADRA2AKCNE1
SCHEMBL4083086 0.81 HTR3A (0.47) HTR3AKCNH2HTR3BADRA2AKCNE1
SCHEMBL4078122 0.78 HTR3A (0.48) HTR3AKCNH2HRH3HTR3BADRA2A
SCHEMBL4078119 0.78 HTR3A (0.48) HTR3AKCNH2HRH3HTR3BADRA2A
SCHEMBL4079025 0.77 HTR3A (0.51) HTR3AKCNH2HTR3BADRA2AKCNE1
SCHEMBL4074319 0.77 HTR3A (0.51) HTR3AKCNH2HTR3BADRA2AKCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566727-B2 2-(1-aza-bicyclo[2.2.2]oct-3-yl)-2,3-dihydro-isoindole-1-one/5,6-dihydro-furo[2,3-c] pyrrol-4-one derivative ligands for alpha 7 nicotinic acetylcholine receptor ASTRAZENECA AB 2009-07-28 US claimed
US-20070213342-A1 Novel 2-(1-Aza-Bicyclo[2.2.2.]Oct-3-Yl)-2,3-Dihydro-Isoindole-1-One/5,6-Dihydro-Furo[2,3-C] Pyrrol-4-One Derivative Ligands For Alpha 7 Nicotinic Acetylcholine Receptor ASTRAZENECA AB (SE) 2007-09-13 US claimed
EP-1737854-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AstraZeneca AB (SE) 2007-01-03 EP claimed
WO-2005100351-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ASTRAZENECA AB (SE) 2005-10-27 WO claimed
US-7566727-B2 2-(1-aza-bicyclo[2.2.2]oct-3-yl)-2,3-dihydro-isoindole-1-one/5,6-dihydro-furo[2,3-c] pyrrol-4-one derivative ligands for alpha 7 nicotinic acetylcholine receptor ASTRAZENECA AB 2009-07-28 US disclosed
US-20070213342-A1 Novel 2-(1-Aza-Bicyclo[2.2.2.]Oct-3-Yl)-2,3-Dihydro-Isoindole-1-One/5,6-Dihydro-Furo[2,3-C] Pyrrol-4-One Derivative Ligands For Alpha 7 Nicotinic Acetylcholine Receptor ASTRAZENECA AB (SE) 2007-09-13 US disclosed
EP-1737854-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005100351-A1 NOVEL 2-(1-AZA-BICYCLO[2.2.2]OCT-3-yl)-2,3-DIHYDROISOINDOL-l-ONE/5,6-DIHYDRO-FURO[2,3-c]PYRROL-4ONE DERIVATIVES LIGANDS FOR ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ASTRAZENECA AB (SE) 2005-10-27 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-20070213342-A1 Novel 2-(1-Aza-Bicyclo[2.2.2.]Oct-3-Yl)-2,3-Dihydro-Isoindole-1-One/5,6-Dihydro-Furo[2,3-C] Pyrrol-4-One Derivative Ligands For Alpha 7 Nicotinic Acetylcholine Receptor CHRNA1, CHRNA7, CHRNE HTR3A 68/4885KCNH2 1283/4885HTR1A 77/4885

“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.