SCHEMBL22102760

SCHEMBL22102760

CN(O)C(=O)c1[nH]nc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
MAPT P10636 3/20 0.39
ESR2 Q92731 1/20 0.39
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
ADORA1 P30542 2/20 0.38
NR1H2 P55055 2/20 0.38
F12 P00748 2/20 0.38
PDE10A Q9Y233 1/20 0.38
C5AR1 P21730 1/20 0.36
MAPK1 P28482 1/20 0.36
GRAMD1A Q96CP6 1/20 0.34
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL22069457 0.88 ADORA1 (0.38) PARP1TNKS2PARP2MAPTESR2
SCHEMBL22715571 0.85 ADORA1 (0.46) PARP1TNKS2PARP2MAPTESR2
SCHEMBL22068976 0.84 PDE10A (0.36) PARP1TNKS2PARP2MAPTESR2
SCHEMBL22069377 0.84 F12 (0.36) PARP1TNKS2PARP2MAPTESR2
SCHEMBL22624658 0.83 DDB1 (0.36) PARP1TNKS2PARP2MAPTESR2
SCHEMBL22029563 0.82 PDE10A (0.39) PARP1TNKS2PARP2MAPTESR2
SCHEMBL22068993 0.82 PDE10A (0.35) PARP1TNKS2PARP2MAPTESR2
SCHEMBL22738284 0.81 MAPT (0.41) PARP1TNKS2PARP2MAPTESR2
SCHEMBL22029691 0.81 ADORA1 (0.51) PARP1TNKS2PARP2MAPTESR2
SCHEMBL14971267 0.80 F12 (0.43) PARP1TNKS2PARP2MAPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210252014-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2021-08-19 US disclosed
US-10987359-B2 Oxadiazepinone derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2021-04-27 US disclosed
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2020-06-25 US disclosed
EP-3478692-B1 OXADIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2020-06-17 EP 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-10987359-B2 Oxadiazepinone derivatives and methods of treating hepatitis B infections HCCS, SLC10A1, PYGL PARP1 3912/4885TNKS2 4061/4885PARP2 3936/4885
US-20210252014-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS PARP1 3430/4885TNKS2 3154/4885PARP2 3338/4885
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HCCS, SLC10A1, PYGL PARP1 3912/4885TNKS2 4061/4885PARP2 3936/4885

“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.