SCHEMBL411371

SCHEMBL411371

CN(CC(=O)OC(C)(C)C)Cc1cc(Cl)cc(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ABCB1 P08183 2/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ADRA1D P25100 1/20 0.36
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
S1PR1 P21453 1/20 0.35
NR1D1 P20393 1/20 0.35
NR1H3 Q13133 1/20 0.35
ENPP2 Q13822 1/20 0.35
CTSL P07711 3/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.32
HIF1A Q16665 1/20 0.32
STS P08842 1/20 0.32
PARP1 P09874 1/20 0.32

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
SCHEMBL409560 0.85 ABCB1 (0.38) POLBABCB1S1PR1NR1D1CTSL
SCHEMBL408817 0.81 POLB (0.52) POLBABCB1HTTS1PR1NR1D1
SCHEMBL410184 0.79 KDM4E (0.34) ADRA1DS1PR1NR1D1NR1H3KDM4E
SCHEMBL10170406 0.79 KDM4E (0.34) ADRA1DS1PR1NR1D1NR1H3KDM4E
SCHEMBL410183 0.79 KDM4E (0.34) ADRA1DS1PR1NR1D1NR1H3KDM4E
SCHEMBL405794 0.78 HTT (0.47) POLBABCB1HTTNPSR1CTSL
SCHEMBL405431 0.78 ABCB1 (0.39) ABCB1HTTNPSR1NR3C2NR1D1
SCHEMBL403900 0.77 HTT (0.54) POLBABCB1HTTNPSR1NR3C1
SCHEMBL411410 0.77 LMNA (0.40) POLBHTTADRA1DS1PR1NR1D1
SCHEMBL18773018 0.77 RIPK1 (0.53) CTSLKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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 (2 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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB POLB 1608/4885ABCB1 1198/4885HTT 4073/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB POLB 1608/4885ABCB1 1198/4885HTT 4073/4885

“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.