SCHEMBL22029670

SCHEMBL22029670

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.35
ADORA1 P30542 2/20 0.33
ESR2 Q92731 1/20 0.33
CREBBP Q92793 2/20 0.33
BRD4 O60885 1/20 0.33
NR1H2 P55055 1/20 0.33
NAMPT P43490 1/20 0.32
PDE10A Q9Y233 1/20 0.32
C5AR1 P21730 2/20 0.32
PRKCI P41743 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
MAPK1 P28482 1/20 0.31
CDK7 P50613 1/20 0.31
CDK13 Q14004 1/20 0.31
CDK12 Q9NYV4 1/20 0.31
EP300 Q09472 1/20 0.31

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
SCHEMBL22029633 0.84 RBP4 (0.37) RBP4ADORA1ESR2CREBBPBRD4
SCHEMBL17870541 0.82 RBP4 (0.39) RBP4ADORA1ESR2CREBBPBRD4
SCHEMBL17870535 0.81 RBP4 (0.39) RBP4ADORA1ESR2CREBBPBRD4
SCHEMBL22029668 0.80 NAMPT (0.36) RBP4ADORA1ESR2CREBBPNAMPT
SCHEMBL22615700 0.80 NAMPT (0.35) RBP4ADORA1ESR2CREBBPBRD4
SCHEMBL14520683 0.78 ESR2 (0.41) RBP4ADORA1ESR2CREBBPBRD4
SCHEMBL4792110 0.78 ADORA1 (0.46) RBP4ADORA1ESR2CREBBPBRD4
SCHEMBL25430237 0.77 ADORA1 (0.43) RBP4ADORA1ESR2CREBBPBRD4
SCHEMBL17870544 0.76 RBP4 (0.40) RBP4ADORA1ESR2CREBBPBRD4
SCHEMBL17878107 0.76 MAPK1 (0.42) RBP4ADORA1ESR2CREBBPBRD4

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 2459/4885ADORA1 552/4885ESR2 519/4885
US-20200181144-A1 DIAZEPINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEPATITIS B INFECTIONS HAVCR2, NR1H4, NR1H2 RBP4 2459/4885ADORA1 552/4885ESR2 519/4885
US-10975077-B2 Diazepinone derivatives and their use in the treatment of hepatitis B infections HAVCR2, NR1H4, NR1H2 RBP4 2459/4885ADORA1 552/4885ESR2 519/4885

“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.