SCHEMBL929367

SCHEMBL929367

CC(C)(C)OC(=O)N1CC[C@@H]2CN(c3nnc(-c4ccccc4)o3)C[C@@H]21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.45
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
RET P07949 1/20 0.41
USP30 Q70CQ3 5/20 0.41
CCR5 P51681 3/20 0.41
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGDS O60760 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL440844 0.74 SMN1; SMN2 (0.65) GPR119GAATHRBSMN1; SMN2HPGDS
SCHEMBL929369 0.74 GPR119 (0.41) GPR119USP30GAATHRBSMN1; SMN2
SCHEMBL6329995 0.73 GPR119 (0.47) GPR119RETSMN1; SMN2
SCHEMBL4955775 0.73 ALDH1A1 (0.60) GAA
SCHEMBL4955786 0.73 ALDH1A1 (0.60) GAA
SCHEMBL28975838 0.72 GPR119 (0.54) GPR119USP30GAATHRBSMN1; SMN2
SCHEMBL651711 0.72 GPR119 (0.66) GPR119NR1H2NR1H3
SCHEMBL652524 0.72 GPR119 (0.66) GPR119NR1H2NR1H3
SCHEMBL6532752 0.71 USP30 (0.50) GPR119USP30
SCHEMBL18495417 0.70 CCR5 (0.52) GPR119BCHEUSP30CCR5THRB

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 5 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

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 GPR119 84/4885NR1H2 158/4885NR1H3 202/4885
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 GPR119 401/4885NR1H2 134/4885NR1H3 177/4885

“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.