SCHEMBL3578707

SCHEMBL3578707

CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)O)C[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.46
HSD17B10 Q99714 1/20 0.45
USP30 Q70CQ3 1/20 0.43
SPR P35270 2/20 0.42
HPGD P15428 1/20 0.41
PREP P48147 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
RECQL P46063 1/20 0.40
EPHX1 P07099 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
SCHEMBL3578711 1.00 GPR119 (0.46) GPR119HSD17B10USP30SPRHPGD
SCHEMBL3578710 1.00 GPR119 (0.46) GPR119HSD17B10USP30SPRHPGD
SCHEMBL1586237 0.90 GPR119 (0.50) GPR119HSD17B10USP30SPRHPGD
SCHEMBL18711394 0.88 GPR119 (0.43) GPR119HSD17B10USP30SPRHPGD
SCHEMBL25388192 0.87 GPR119 (0.45) GPR119HSD17B10USP30SPRHPGD
SCHEMBL18702090 0.87 GPR119 (0.42) GPR119HSD17B10USP30SPRHPGD
SCHEMBL3572550 0.86 NR1H2 (0.45) GPR119HSD17B10USP30SPRHPGD
SCHEMBL3572552 0.86 NR1H2 (0.45) GPR119HSD17B10USP30SPRHPGD
SCHEMBL930035 0.85 USP30 (0.43) GPR119HSD17B10USP30SPRHPGD
SCHEMBL6325451 0.85 USP30 (0.43) GPR119HSD17B10USP30SPRHPGD

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 8 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-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 GPR119 283/4885HSD17B10 3046/4885USP30 4053/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 GPR119 283/4885HSD17B10 3046/4885USP30 4053/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 GPR119 312/4885HSD17B10 3136/4885USP30 4324/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 GPR119 283/4885HSD17B10 3046/4885USP30 4053/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 GPR119 312/4885HSD17B10 3136/4885USP30 4324/4885

“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.