SCHEMBL652341

SCHEMBL652341

CC(C)(C)OC(=O)N1CCC[C@H]2CN(c3cccnc3)C[C@H]21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.61
NR1H2 P55055 1/20 0.54
NR1H3 Q13133 1/20 0.54
CHRNB2 P17787 5/20 0.42
CHRNA4 P43681 5/20 0.42
CHRNA7 P36544 1/20 0.42
GRM1 Q13255 2/20 0.41
GRM5 P41594 1/20 0.41
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
UCHL1 P09936 1/20 0.40

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
SCHEMBL650447 1.00 GPR119 (0.61) GPR119NR1H2NR1H3CHRNB2CHRNA4
SCHEMBL652343 1.00 GPR119 (0.61) GPR119NR1H2NR1H3CHRNB2CHRNA4
SCHEMBL651711 0.94 GPR119 (0.66) GPR119NR1H2NR1H3CHRNB2CHRNA4
SCHEMBL652524 0.94 GPR119 (0.66) GPR119NR1H2NR1H3CHRNB2CHRNA4
SCHEMBL654477 0.88 GPR119 (0.71) GPR119NR1H2NR1H3CHRNB2CHRNA4
SCHEMBL652041 0.88 GPR119 (0.60) GPR119NR1H2NR1H3CHRNB2CHRNA4
SCHEMBL1504990 0.83 CHRNB2 (0.48) GPR119CHRNB2CHRNA4CHRNA7GRM1
SCHEMBL1504994 0.83 CHRNB2 (0.48) GPR119CHRNB2CHRNA4CHRNA7GRM1
SCHEMBL1504993 0.83 CHRNB2 (0.48) GPR119CHRNB2CHRNA4CHRNA7GRM1
SCHEMBL653782 0.82 NR1H2 (0.48) GPR119NR1H2NR1H3CHRNB2CHRNA4

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 11 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
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-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
EP-1284976-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS Abbott Laboratories (US) 2003-02-26 EP disclosed
WO-2001081347-A2 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2001-11-01 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 (4 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 283/4885NR1H2 1220/4885NR1H3 1391/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 GPR119 283/4885NR1H2 1220/4885NR1H3 1391/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 GPR119 283/4885NR1H2 1220/4885NR1H3 1391/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 GPR119 312/4885NR1H2 1240/4885NR1H3 1391/4885

“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.