SCHEMBL3588587

SCHEMBL3588587

COc1nn(-c2cccc(N(C)C(C)=O)c2)c(=O)n(Cc2ccc3c(c2)CCO3)c1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.38
CHRM5 P08912 5/20 0.36
CHRM1 P11229 5/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
FAAH O00519 1/20 0.35
RYR2 Q92736 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
RAB9A P51151 1/20 0.33
CXCR3 P49682 1/20 0.33
EEF2K O00418 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
SCHEMBL3583201 0.85 FAAH (0.42) P2RX3CHRM5CHRM1MEN1KMT2A
SCHEMBL3589496 0.83 MAPT (0.43) MEN1KMT2ACASP3
SCHEMBL3580070 0.83 GPBAR1 (0.40) P2RX3HTR1ARAB9AEEF2K
SCHEMBL3577788 0.81 ROCK2 (0.45)
SCHEMBL3573634 0.79 P2RX3 (0.40) P2RX3MEN1KMT2AFAAHRYR2
SCHEMBL3588496 0.79 P2RX3 (0.39) P2RX3MEN1KMT2AFAAHRYR2
SCHEMBL3588691 0.79 LMNA (0.40) MEN1KMT2A
SCHEMBL14202273 0.75 NPBWR1 (0.39) P2RX3HTR1ARAB9A
SCHEMBL3581370 0.73 PDE10A (0.37)
SCHEMBL3580085 0.73 POLB (0.35) KMT2ARAB9A

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 16 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
EP-2104670-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS Addex Pharma SA (CH) 2009-09-30 EP disclosed
WO-2008056257-A2 NOVEL TRIAZINEDIONE DERIVATIVES AS GABA-B RECEPTOR MODULATORS ADDEX PHARMA S.A (CH) 2008-05-15 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 (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 P2RX3 224/4885CHRM5 25/4885CHRM1 32/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 P2RX3 224/4885CHRM5 25/4885CHRM1 32/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 P2RX3 224/4885CHRM5 25/4885CHRM1 32/4885

“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.