SCHEMBL929100

SCHEMBL929100

CC(C)(C)OC(=O)N1CC2CN(c3ncc(Br)s3)CC2C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.48
NR1H2 P55055 1/20 0.43
GPR119 Q8TDV5 9/20 0.43
PDE10A Q9Y233 2/20 0.42
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
JAK1 P23458 1/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
AOC3 Q16853 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
SCHEMBL1199336 0.83 GPR119 (0.49) GPR119
SCHEMBL3486582 0.83 GPR119 (0.61) GPR119
SCHEMBL22641585 0.82 NR1H2 (0.45) USP30NR1H2GPR119PDE10AKCNK3
SCHEMBL22641586 0.82 NR1H2 (0.45) USP30NR1H2GPR119PDE10AKCNK3
SCHEMBL15889405 0.82 NR1H2 (0.45) USP30NR1H2GPR119PDE10AKCNK3
SCHEMBL927930 0.82 USP30 (0.72) USP30GPR119PDE10AKCNK3KCNK9
SCHEMBL22660531 0.81 GPR119 (0.45) USP30GPR119KCNK3KCNK9JAK1
SCHEMBL6202156 0.80 GPR119 (0.47) GPR119
SCHEMBL31488004 0.80 GPR119 (0.43) USP30NR1H2GPR119
SCHEMBL929933 0.80 NR1H2 (0.45) USP30NR1H2GPR119PDE10AKCNK3

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 6 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 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
US-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 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 (3 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-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 USP30 4503/4885NR1H2 156/4885GPR119 69/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 USP30 4375/4885NR1H2 158/4885GPR119 84/4885
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 USP30 4393/4885NR1H2 134/4885GPR119 401/4885

“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.