SCHEMBL3201855

SCHEMBL3201855

CCOC(=O)CCN(C(=O)OC(C)(C)C)C(C)CC(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CTSK P43235 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 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
SCHEMBL18285728 0.90 SMN1; SMN2 (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL1568744 0.89 SMN1; SMN2 (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL18285776 0.88 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT
SCHEMBL20165352 0.87 CTSK (0.34) CYP1A2CYP2C9CYP2C19HTTHDAC6
SCHEMBL10500133 0.86 CYP1A2 (0.38) SMN1; SMN2CYP1A2MGAMGAASI
SCHEMBL15290576 0.85 CA12 (0.36) CYP1A2CYP2C9CYP2C19HTTHDAC6
SCHEMBL17881774 0.84 CYP2D6 (0.36) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL17881772 0.84 CYP2D6 (0.36) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL17881775 0.84 CYP2D6 (0.36) CYP1A2CYP2C9CYP2C19HTTNFKB1
SCHEMBL21192610 0.84 SMN1; SMN2 (0.32) SMN1; SMN2CYP1A2CYP2C9CYP2C19HTT

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 20 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
US-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
CN-101754961-A Pyrimidinone derivatives and methods of use thereof SCHERING CORP 2010-06-23 CN disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-7691893-B2 Chemical compounds GLAXO GROUP LIMITED (GB) 2010-04-06 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE BERTANI BARBARA 2010-02-11 US disclosed
EP-2148870-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-02-03 EP disclosed
EP-2064186-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE Glaxo Group Limited (GB) 2009-06-03 EP disclosed
WO-2008130584-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
US-20080114049-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-05-15 US disclosed
WO-2008031772-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE GLAXO GROUP LIMITED (GB) 2008-03-20 WO 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 (6 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 SMN1; SMN2 4662/4885CYP1A2 129/4885CYP2C9 137/4885
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 SMN1; SMN2 2716/4885CYP1A2 1604/4885CYP2C9 1570/4885
US-20210252014-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS SMN1; SMN2 4691/4885CYP1A2 209/4885CYP2C9 205/4885
US-20080114049-A1 CHEMICAL COMPOUNDS SLC6A2, HTR3C, SLC6A3 SMN1; SMN2 2088/4885CYP1A2 67/4885CYP2C9 104/4885
US-20100035914-A1 AZABICYCLIC COMPOUNDS AS INHIBITORS OF MONOAMINES REUPTAKE SLC6A2, NPY5R, SLC6A3 SMN1; SMN2 3601/4885CYP1A2 154/4885CYP2C9 139/4885
US-20200197408-A1 OXADIAZEPINONE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HCCS, SLC10A1, PYGL SMN1; SMN2 4662/4885CYP1A2 129/4885CYP2C9 137/4885

“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.