SCHEMBL405751

SCHEMBL405751

CN(CC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
SSTR4 P31391 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
AR P10275 2/20 0.35
FNTA P49354 2/20 0.35
FNTB P49356 2/20 0.35
RXRA P19793 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.35
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL406404 0.86 ABCB1 (0.41) ABCB1HTTNPSR1
SCHEMBL2775844 0.85 ABCB1 (0.42) ABCB1HTTNPSR1FNTAFNTB
SCHEMBL408930 0.85 ABCB1 (0.42) ABCB1HTTNPSR1FNTAFNTB
SCHEMBL408771 0.84 ABCB1 (0.41) ABCB1HTTNPSR1FNTAFNTB
SCHEMBL403900 0.84 HTT (0.54) ABCB1HTTNPSR1MRGPRX4FNTA
SCHEMBL410797 0.83 ABCB1 (0.41) ABCB1HTTNPSR1KDM4EALDH1A1
SCHEMBL405794 0.82 HTT (0.47) ABCB1HTTNPSR1SLC6A4FNTA
SCHEMBL410467 0.82 ABCB1 (0.40) ABCB1HTTNPSR1FNTAFNTB
SCHEMBL408817 0.78 POLB (0.52) ABCB1HTTEPHX2
SCHEMBL409156 0.77 ALDH1A1 (0.34) SLC6A2SLC6A4RXRANR1H2NR1H3

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 ABCB1 1198/4885HTT 4073/4885NPSR1 3160/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB ABCB1 1198/4885HTT 4073/4885NPSR1 3160/4885

“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.