SCHEMBL492629

SCHEMBL492629

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc2c(C(=O)O)nsc2c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
HDAC1 Q13547 2/20 0.40
HSD11B1 P28845 1/20 0.40
MAPK8 P45983 1/20 0.39
IDH1 O75874 1/20 0.38
RET P07949 2/20 0.37
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
AR P10275 3/20 0.35
SPR P35270 1/20 0.34
GRM2 Q14416 1/20 0.34
NR1H2 P55055 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL492393 0.88 PARP1 (0.42) PARP1GPR119HDAC1HSD11B1MAPK8
SCHEMBL12723837 0.85 PARP1 (0.42) PARP1GPR119HDAC1HSD11B1MAPK8
SCHEMBL492597 0.82 PIK3CD (0.35) IDH1
SCHEMBL492375 0.81 CDK4 (0.39) PARP1
SCHEMBL492238 0.81 CDK4 (0.39) PARP1
SCHEMBL492144 0.79 SUV39H2 (0.44) GPR119HDAC1NR1H2FAAH
SCHEMBL492478 0.79 GRM4 (0.31)
SCHEMBL4530941 0.77 HDAC1 (0.49) PARP1GPR119HDAC1HSD11B1MAPK8
SCHEMBL30964844 0.77 GPR119 (0.45) PARP1GPR119HDAC1HSD11B1MAPK8
SCHEMBL492117 0.77 MAP3K12 (0.35) PARP1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273891-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-25 US disclosed
US-8106066-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-01-31 US disclosed
US-7932248-B2 3-(1,4-Diazabicyclo[3.2.2]non-4-ylcarbonyl)-5-(tetrahydro-2H-pyran-4-yloxy)-1H-indazole,nicotinic receptor agonists; particularly ligands for the nicotinic alpha-7-receptor(alpha 7 nAChR subtype); brain disorders; neuroprotectants; strokes; antiischemic agents; glutamate-induced excitotoxicity MEMORY PHARMACEUTICALS CORPORATION (US) 2011-04-26 US disclosed
US-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF SCHUMACHER RICHARD 2010-06-03 US disclosed
US-20070135417-A1 3-(1,4-Diazabicyclo[3.2.2]non-4-ylcarbonyl)-5-(tetrahydro-2H-pyran-4-yloxy)-1H-indazole,nicotinic receptor agonists; particularly ligands for the nicotinic alpha-7-receptor(alpha 7 nAChR subtype); brain disorders; neuroprotectants; strokes; antiischemic agents; glutamate-induced excitotoxicity MEMORY PHARMACEUTICALS CORPORATION 2007-06-14 US disclosed
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2007-04-05 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 (3 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-20100137288-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 PARP1 4290/4885GPR119 98/4885HDAC1 571/4885
US-20070135417-A1 3-(1,4-Diazabicyclo[3.2.2]non-4-ylcarbonyl)-5-(tetrahydro-2H-pyran-4-yloxy)-1H-indazole,nicotinic receptor agonists; particularly ligands for the nicotinic alpha-7-receptor(alpha 7 nAChR subtype); brain disorders; neuroprotectants; strokes; antiischemic agents; glutamate-induced excitotoxicity CHRNA7, CHRNA5, CHRNA3 PARP1 3492/4885GPR119 99/4885HDAC1 1254/4885
US-20070078147-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, pyrazolopyridines, isothiazolopyridines, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 PARP1 4290/4885GPR119 98/4885HDAC1 571/4885

“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.