SCHEMBL652572

SCHEMBL652572

CC(C)(C)OC(=O)N1CC2CN(c3cnc4ccccc4c3)CC2C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.54
OPRM1 P35372 2/20 0.47
OPRK1 P41145 2/20 0.47
OGFRL1 Q5TC84 2/20 0.47
OPRD1 P41143 1/20 0.47
AKR1C3 P42330 1/20 0.47
HTR3A P46098 1/20 0.46
GPR119 Q8TDV5 4/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
USP30 Q70CQ3 1/20 0.43
MET P08581 1/20 0.42
HCRTR1 O43613 5/20 0.42
HCRTR2 O43614 5/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42

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
SCHEMBL652571 1.00 PDE10A (0.54) PDE10AOPRM1OPRK1OGFRL1OPRD1
SCHEMBL31254486 0.85 AKR1C3 (0.61) AKR1C3HTR3AGPR119METCKS1B
SCHEMBL4054998 0.85 AKR1C3 (0.61) AKR1C3HTR3AGPR119METCKS1B
SCHEMBL31254485 0.83 GPR119 (0.46) PDE10AOPRM1OPRK1OGFRL1OPRD1
SCHEMBL31254506 0.83 HDAC1 (0.48) AKR1C3HTR3AGPR119MEN1KMT2A
SCHEMBL22728591 0.82 PDE10A (0.51) PDE10AOPRM1OPRK1OGFRL1OPRD1
SCHEMBL6324657 0.82 HPGDS (0.53) PDE10AGPR119USP30CKS1BSKP1
SCHEMBL31254494 0.81 CKS1B (0.58) PDE10AAKR1C3HTR3AGPR119MET
SCHEMBL6352963 0.81 CKS1B (0.58) PDE10AAKR1C3HTR3AGPR119MET
SCHEMBL17871222 0.80 MET (0.54) AKR1C3GPR119METCKS1BSKP1

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
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-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 (5 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 PDE10A 372/4885OPRM1 190/4885OPRK1 219/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 PDE10A 372/4885OPRM1 190/4885OPRK1 219/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 PDE10A 439/4885OPRM1 166/4885OPRK1 192/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 PDE10A 372/4885OPRM1 190/4885OPRK1 219/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 PDE10A 439/4885OPRM1 166/4885OPRK1 192/4885

“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.