SCHEMBL17870541

SCHEMBL17870541

CN(O)C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.39
ESR2 Q92731 1/20 0.39
ADORA1 P30542 2/20 0.38
NR1H2 P55055 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
MAPK1 P28482 2/20 0.36
CREBBP Q92793 5/20 0.35
EP300 Q09472 4/20 0.35
BRD4 O60885 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL17870535 0.90 RBP4 (0.39) RBP4ESR2ADORA1NR1H2PARP1
SCHEMBL22029633 0.86 RBP4 (0.37) RBP4ESR2ADORA1NR1H2PARP1
SCHEMBL14520683 0.85 ESR2 (0.41) RBP4ESR2ADORA1NR1H2PARP1
SCHEMBL4792110 0.85 ADORA1 (0.46) RBP4ESR2ADORA1NR1H2MAPK1
SCHEMBL25430237 0.84 ADORA1 (0.43) RBP4ESR2ADORA1NR1H2PARP1
SCHEMBL17878107 0.83 MAPK1 (0.42) RBP4ESR2ADORA1NR1H2PARP1
SCHEMBL22615700 0.83 NAMPT (0.35) RBP4ESR2ADORA1NR1H2PARP1
SCHEMBL22029695 0.83 CREBBP (0.42) RBP4MAPK1CREBBPEP300BRD4
SCHEMBL22029670 0.82 RBP4 (0.35) RBP4ESR2ADORA1NR1H2PARP1
SCHEMBL29386147 0.82 RBP4 (0.42) RBP4ESR2ADORA1NR1H2PARP1

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348592-A1 FUSED HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-11-03 US disclosed
EP-3976617-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-04-06 EP disclosed
US-20210252014-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2021-08-19 US disclosed
EP-3478683-B1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2021-07-21 EP disclosed
US-20210188849-A1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS INC (US) 2021-06-24 US disclosed
US-10987359-B2 Oxadiazepinone derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2021-04-27 US disclosed
US-10975077-B2 Diazepinone derivatives and their use in the treatment of hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
WO-2020243135-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed
WO-2020243135-A1 FUSED HETEROCYCLIC DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 WO disclosed
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2020-06-25 US disclosed
US-9890161-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-02-13 US disclosed
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2017-05-04 US disclosed
US-9527845-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-27 US disclosed
US-9527845-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-27 US disclosed
US-9527845-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2016-12-27 US disclosed
US-20160185777-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185777-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 US disclosed
US-20160185777-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2016-06-30 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 (8 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 RBP4 2939/4885ESR2 1489/4885ADORA1 1063/4885
US-20170121329-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS RBP4 170/4885ESR2 1041/4885ADORA1 2542/4885
US-20160185777-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS RBP4 170/4885ESR2 1041/4885ADORA1 2542/4885
US-20210188849-A1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS HAVCR2, NR1H4, NR1H2 RBP4 2459/4885ESR2 519/4885ADORA1 552/4885
US-20220348592-A1 FUSED HETEROCYCLIC DERIVATIVES HAVCR2, HCCS, GOT2 RBP4 3250/4885ESR2 382/4885ADORA1 4456/4885
US-20210252014-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS RBP4 2316/4885ESR2 1374/4885ADORA1 949/4885
US-10975077-B2 Diazepinone derivatives and their use in the treatment of hepatitis B infections HAVCR2, NR1H4, NR1H2 RBP4 2459/4885ESR2 519/4885ADORA1 552/4885
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HCCS, SLC10A1, PYGL RBP4 2939/4885ESR2 1489/4885ADORA1 1063/4885

“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.