SCHEMBL929140

SCHEMBL929140

CC(C)(C)OC(=O)N1CC2CN(c3cc(-c4ccccc4)on3)CC2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 5/20 0.53
USP30 Q70CQ3 3/20 0.48
PDE10A Q9Y233 2/20 0.46
SCD O00767 5/20 0.46
GPR119 Q8TDV5 2/20 0.44
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL6324537 0.78 PDE10A (0.52) USP30PDE10AGPR119CKS1BSKP1
SCHEMBL15663026 0.78 CHRNA7 (0.60) USP30PDE10AGPR119
SCHEMBL6330678 0.78 CHRNA7 (0.60) USP30PDE10AGPR119
SCHEMBL929141 0.78 SCD5 (0.48) SCD5USP30SCDNPC1RAB9A
SCHEMBL6032840 0.77 CHRNA7 (0.55) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL15596306 0.76 GPR119 (0.67) USP30PDE10AGPR119
SCHEMBL10111733 0.76 GPR119 (0.67) USP30PDE10AGPR119
SCHEMBL928426 0.76 USP30 (0.46) USP30PDE10AGPR119CKS1BSKP1
SCHEMBL22495527 0.76 GPR119 (0.70) PDE10AGPR119
SCHEMBL22495526 0.76 GPR119 (0.70) PDE10AGPR119

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 7 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
EP-1664045-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Abbott Laboratories (US) 2006-06-07 EP 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
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 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 (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 SCD5 2630/4885USP30 4375/4885PDE10A 1459/4885
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 SCD5 2952/4885USP30 4393/4885PDE10A 1168/4885

“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.