SCHEMBL652595

SCHEMBL652595

CC(C)(C)OC(=O)N1CC2CN(c3cccnc3)CC2C1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.71
CHRNB2 P17787 4/20 0.49
CHRNA4 P43681 4/20 0.49
CHRNA7 P36544 1/20 0.49
GRM5 P41594 1/20 0.48
GRM1 Q13255 1/20 0.48
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
PDE10A Q9Y233 2/20 0.46

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
SCHEMBL652594 1.00 GPR119 (0.71) GPR119CHRNB2CHRNA4CHRNA7GRM5
SCHEMBL652041 0.84 GPR119 (0.60) GPR119CHRNB2CHRNA4CHRNA7GRM5
SCHEMBL929692 0.84 GPR119 (0.50) GPR119PDE10A
SCHEMBL15092041 0.84 GPR119 (0.50) GPR119GRM1PDE10A
SCHEMBL30040816 0.84 GPR119 (0.50) GPR119GRM1PDE10A
SCHEMBL15596306 0.84 GPR119 (0.67) GPR119PDE10A
SCHEMBL10111733 0.84 GPR119 (0.67) GPR119PDE10A
SCHEMBL594813 0.83 GPR119 (0.80) GPR119GRM5GRM1
SCHEMBL652524 0.82 GPR119 (0.66) GPR119CHRNB2CHRNA4CHRNA7GRM5
SCHEMBL651711 0.82 GPR119 (0.66) GPR119CHRNB2CHRNA4CHRNA7GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 US disclosed
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
US-7598236-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2009-10-06 US disclosed
US-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2008-04-24 US disclosed
US-7319106-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2008-01-15 US disclosed
US-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 US disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 US disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 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 (6 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-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 GPR119 283/4885CHRNB2 10/4885CHRNA4 11/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 GPR119 283/4885CHRNB2 10/4885CHRNA4 11/4885
US-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 GPR119 69/4885CHRNB2 12/4885CHRNA4 9/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 GPR119 312/4885CHRNB2 11/4885CHRNA4 8/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 GPR119 283/4885CHRNB2 10/4885CHRNA4 11/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 GPR119 312/4885CHRNB2 11/4885CHRNA4 8/4885

“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.