SCHEMBL5140155

SCHEMBL5140155

CC(C)(C)OC(=O)N1CC2CCC1CN2c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.55
IDH1 O75874 1/20 0.50
HDAC1 Q13547 2/20 0.49
GRM2 Q14416 2/20 0.46
CHRNB2 P17787 5/20 0.46
CHRNA4 P43681 5/20 0.46
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
KCNK3 O14649 4/20 0.41
KCNK9 Q9NPC2 4/20 0.41
PARP1 P09874 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
SCHEMBL19838636 0.85 HDAC1 (0.52) GPR119IDH1HDAC1GRM2PARP1
SCHEMBL19838635 0.85 HDAC1 (0.52) GPR119IDH1HDAC1GRM2PARP1
SCHEMBL652816 0.81 GPR119 (0.56) GPR119CHRNB2CHRNA4GRM5GRM1
SCHEMBL18837987 0.79 GPR119 (0.50) GPR119IDH1HDAC1GRM2KCNK3
SCHEMBL18838040 0.78 GPR119 (0.49) GPR119IDH1HDAC1GRM2KCNK3
SCHEMBL38661622 0.76 GPR119 (0.52) GPR119IDH1HDAC1GRM2GRM1
SCHEMBL22919195 0.75 AR (0.61) GPR119IDH1HDAC1GRM2
SCHEMBL30818801 0.75 PARP1 (0.54) GPR119HDAC1PARP1
SCHEMBL654477 0.75 GPR119 (0.71) GPR119CHRNB2CHRNA4GRM5GRM1
SCHEMBL1449629 0.75 GPR119 (0.64) GPR119IDH1HDAC1GRM2KCNK3

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-1359152-B1 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LAB (US) 2008-05-07 EP disclosed
US-7265115-B2 Diazabicyclic CNS active agents ABBOTT LABORATORIES (US) 2007-09-04 US disclosed
US-20030225268-A1 Diazabicyclic CNS active agents ABBVIE INC. 2003-12-04 US disclosed
EP-1359152-A2 Diazabicyclic derivatives as nicotinic acetylcholine receptor ligands ABBOTT LABORATORIES (US) 2003-11-05 EP disclosed
EP-1147112-B1 DIAZABICYCLIC DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ABBOTT LAB (US) 2003-10-29 EP 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-20030225268-A1 Diazabicyclic CNS active agents GABRE, GRIN1, CNTN1 GPR119 343/4885IDH1 1174/4885HDAC1 957/4885

“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.