SCHEMBL22029633

SCHEMBL22029633

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.37
ESR2 Q92731 1/20 0.35
ADORA1 P30542 2/20 0.35
PDE10A Q9Y233 1/20 0.35
NR1H2 P55055 1/20 0.35
CREBBP Q92793 4/20 0.35
BRD4 O60885 2/20 0.35
NAMPT P43490 1/20 0.34
MAPK1 P28482 2/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
EP300 Q09472 3/20 0.33
PIK3CD O00329 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL17870541 0.86 RBP4 (0.39) RBP4ESR2ADORA1NR1H2CREBBP
SCHEMBL17870535 0.85 RBP4 (0.39) RBP4ESR2ADORA1NR1H2CREBBP
SCHEMBL22029670 0.84 RBP4 (0.35) RBP4ESR2ADORA1PDE10ANR1H2
SCHEMBL22615700 0.83 NAMPT (0.35) RBP4ESR2ADORA1PDE10ANR1H2
SCHEMBL17501756 0.82 ALDH1A1 (0.42) RBP4PDE10ACREBBPBRD4MAPK1
SCHEMBL4792110 0.81 ADORA1 (0.46) RBP4ESR2ADORA1NR1H2CREBBP
SCHEMBL14520683 0.81 ESR2 (0.41) RBP4ESR2ADORA1NR1H2CREBBP
SCHEMBL25430237 0.80 ADORA1 (0.43) RBP4ESR2ADORA1NR1H2CREBBP
SCHEMBL17870544 0.79 RBP4 (0.40) RBP4ESR2ADORA1NR1H2CREBBP
SCHEMBL17878107 0.79 MAPK1 (0.42) RBP4ESR2ADORA1NR1H2CREBBP

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
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-10975077-B2 Diazepinone derivatives and their use in the treatment of hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2021-04-13 US disclosed
US-20200181144-A1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2020-06-11 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-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-20200181144-A1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS HAVCR2, NR1H4, NR1H2 RBP4 2459/4885ESR2 519/4885ADORA1 552/4885
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

“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.