SCHEMBL649855

SCHEMBL649855

CC(C)(C)OC(=O)N1CC[C@H]2CN(c3cccnc3)[C@H]2C1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.69
CHRNB2 P17787 4/20 0.47
CHRNB4 P30926 4/20 0.47
CHRNA3 P32297 4/20 0.47
CHRNA4 P43681 4/20 0.47
GRM5 P41594 1/20 0.46
GRM1 Q13255 1/20 0.46
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44

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
SCHEMBL649395 1.00 GPR119 (0.69) GPR119CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL651844 0.91 GPR119 (0.66) GPR119CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL654092 0.91 GPR119 (0.66) GPR119CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14934490 0.83 GPR119 (0.60) GPR119GRM5GRM1
SCHEMBL649418 0.83 CHRNB2 (0.53) GPR119CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3586313 0.83 CHRNB2 (0.54) GPR119CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3568066 0.83 CHRNB2 (0.54) GPR119CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3963696 0.83 CHRNB2 (0.54) GPR119CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL650346 0.82 CHRNB2 (0.48) GPR119CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL652549 0.82 CHRNB2 (0.48) GPR119CHRNB2CHRNB4CHRNA3CHRNA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2010-01-21 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 (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-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 GPR119 283/4885CHRNB2 10/4885CHRNB4 15/4885

“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.