SCHEMBL3585908

SCHEMBL3585908

COc1nn(-c2cccc(CC(C)=O)c2)c(=O)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.41
MCHR1 Q99705 1/20 0.41
P2RX3 P56373 2/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTSK P43235 1/20 0.39
EEF2K O00418 1/20 0.38
AVPR2 P30518 2/20 0.38
AVPR1A P37288 2/20 0.38
MAPK14 Q16539 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
POLB P06746 1/20 0.37
UBE2N P61088 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37

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
SCHEMBL3579111 0.87 NPBWR1 (0.43) NPBWR1MCHR1P2RX3TSHRHSD17B10
SCHEMBL3581571 0.85 NPBWR1 (0.42) NPBWR1MCHR1P2RX3TSHRHSD17B10
SCHEMBL3580070 0.84 GPBAR1 (0.40) NPBWR1MCHR1P2RX3TSHRHSD17B10
SCHEMBL3582065 0.84 NPC1 (0.47) NPBWR1MCHR1P2RX3TSHRHSD17B10
SCHEMBL3584129 0.83 NPBWR1 (0.44) NPBWR1MCHR1P2RX3TSHRHSD17B10
SCHEMBL3588486 0.83 NPC1 (0.54) NPBWR1MCHR1MAPTTHRBPOLB
SCHEMBL17493133 0.82 NPBWR1 (0.40) NPBWR1MCHR1P2RX3TSHRHSD17B10
SCHEMBL3582977 0.82 NPBWR1 (0.38) NPBWR1MCHR1P2RX3TSHRHSD17B10
SCHEMBL14202273 0.82 NPBWR1 (0.39) NPBWR1MCHR1P2RX3TSHRHSD17B10
SCHEMBL3583987 0.81 PTGER3 (0.45) NPBWR1MCHR1P2RX3MAPK14MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104670-B3 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-09-21 EP claimed
EP-2104670-B1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMACEUTICALS SA (CH) 2016-02-17 EP claimed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US claimed
EP-2662366-A1 Novel triazinedione derivatives as GABA-B receptor modulators ADDEX Pharma S.A. (CH) 2013-11-13 EP claimed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US claimed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US claimed
EP-2104670-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS Addex Pharma SA (CH) 2009-09-30 EP claimed
WO-2008056257-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMA S.A (CH) 2008-05-15 WO claimed
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
EP-2662366-A1 Novel triazinedione derivatives as GABA-B receptor modulators ADDEX Pharma S.A. (CH) 2013-11-13 EP disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPBWR1 233/4885MCHR1 1244/4885P2RX3 224/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPBWR1 233/4885MCHR1 1244/4885P2RX3 224/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPBWR1 233/4885MCHR1 1244/4885P2RX3 224/4885

“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.