SCHEMBL928628

SCHEMBL928628

CN1C=C2CN(c3ccc(-c4ccc5c(ccn5C)c4)nn3)CC2C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.41
HSD11B1 P28845 1/20 0.38
SCD O00767 1/20 0.38
PDE10A Q9Y233 1/20 0.38
FAAH O00519 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR3A P46098 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
KCNH2 Q12809 3/20 0.35
PFKFB3 Q16875 1/20 0.35

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
Fumaric Acid SCHEMBL931051 0.92 CCNC (0.41) CHRNA7HSD11B1SCDPDE10AFAAH
SCHEMBL930239 0.85 CHRNA7 (0.41) CHRNA7HSD11B1SCDPDE10AFAAH
SCHEMBL927769 0.81 CHRNA7 (0.65) CHRNA7HTR3AKCNH2
SCHEMBL928627 0.79 CHRNA7 (0.65) CHRNA7HSD11B1SCDFAAHNPC1
SCHEMBL929022 0.78 CHRNA7 (0.43) CHRNA7NPC1RAB9ASMN1; SMN2HTR3A
SCHEMBL928651 0.78 CHRNA7 (0.43) CHRNA7NPC1HTR3ACHRNB4CHRNA3
SCHEMBL927640 0.78 CHRNA7 (0.38) CHRNA7HTR3ACHRNB4CHRNA3KCNH2
Fumaric Acid SCHEMBL1794464 0.78 CCNC (0.39) CHRNA7HSD11B1SCDPDE10AFAAH
SCHEMBL927440 0.77 CHRNA7 (0.43) CHRNA7PDE10ANPC1RAB9AHTR3A
SCHEMBL930238 0.77 CHRNA7 (0.57) CHRNA7HSD11B1SCDFAAHNPC1

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
EP-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP claimed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US claimed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 US claimed
EP-2316836-A1 Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors Abbott Laboratories (US) 2011-05-04 EP disclosed
US-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 US 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-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 CHRNA7 1/4885HSD11B1 1546/4885SCD 3069/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 CHRNA7 1/4885HSD11B1 498/4885SCD 2542/4885

“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.