SCHEMBL3586767

SCHEMBL3586767

COc1nn(-c2ccccc2CN2CCOCC2)c(=O)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PDE1B Q01064 3/20 0.41
CYP2A13 Q16696 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
P2RX3 P56373 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 3/20 0.39
MAPK1 P28482 1/20 0.39
F10 P00742 1/20 0.39
THRB P10828 1/20 0.39
HTR7 P34969 1/20 0.38
DRD2 P14416 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL3577118 0.84 THRB (0.43) ALDH1A1MEN1TSHRKMT2ANPSR1
SCHEMBL3577374 0.84 THRB (0.46) KDM4EALDH1A1P2RX3SMN1; SMN2THRB
SCHEMBL3573435 0.83 THRB (0.43) ALDH1A1MEN1TSHRKMT2ANPSR1
SCHEMBL3579487 0.83 MAPK1 (0.43) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL3583991 0.82 MAPK1 (0.43) KDM4EALDH1A1PDE1BMEN1TSHR
SCHEMBL3576746 0.81 THRB (0.41) KDM4EALDH1A1MEN1USP2TSHR
SCHEMBL3574045 0.81 THRB (0.41) KDM4EALDH1A1MEN1TSHRKMT2A
SCHEMBL3581326 0.80 ALDH1A1 (0.47) ALDH1A1TSHRP2RX3HCRTR1HCRTR2
SCHEMBL3590305 0.79 SCN9A (0.41) ALDH1A1MEN1KMT2ANPSR1THRB
SCHEMBL3585324 0.77 MC4R (0.42) KDM4EALDH1A1PDE1BMEN1USP2

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 12 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
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 KDM4E 2122/4885ALDH1A1 3515/4885PDE1B 247/4885
US-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 KDM4E 2122/4885ALDH1A1 3515/4885PDE1B 247/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 KDM4E 2122/4885ALDH1A1 3515/4885PDE1B 247/4885

“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.