SCHEMBL407703

SCHEMBL407703

CN(Cc1cccc(C#N)c1)CC(O)CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
MEP1A Q16819 1/20 0.45
MEP1B Q16820 1/20 0.45
GLA P06280 1/20 0.43
PDK1 Q15118 1/20 0.40
DNM1 Q05193 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
IDH1 O75874 1/20 0.37
FOLH1 Q04609 1/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
NR3C1 P04150 1/20 0.37
PER2 O15055 1/20 0.36

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
SCHEMBL20597764 0.82 POLB (0.44) SLC6A2SLC6A4DNM1MAOB
SCHEMBL12929887 0.81 FFAR1 (0.41) SLC6A2SLC6A4SLC6A3MEP1AMEP1B
SCHEMBL2774079 0.80 MEP1A (0.49) SLC6A2SLC6A4SLC6A3MEP1AMEP1B
SCHEMBL2728447 0.77 FOLH1 (0.49) SLC6A2SLC6A4MEP1AMEP1BGLA
SCHEMBL721952 0.77 DNM1 (0.59) DNM1KDM4EMAOBMEN1KMT2A
SCHEMBL17824014 0.77 DNM1 (0.59) DNM1KDM4EMAOBMEN1KMT2A
SCHEMBL17823521 0.77 DNM1 (0.59) DNM1KDM4EMAOBMEN1KMT2A
SCHEMBL153971 0.75 MEP1A (0.53) SLC6A2SLC6A4SLC6A3MEP1AMEP1B
SCHEMBL410443 0.75 KDM4E (0.37) DNM1KDM4ETDP1MEN1KMT2A
SCHEMBL410444 0.75 KDM4E (0.37) DNM1KDM4ETDP1MEN1KMT2A

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 SLC6A2 4190/4885SLC6A4 4250/4885SLC6A3 3353/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB SLC6A2 4190/4885SLC6A4 4250/4885SLC6A3 3353/4885

“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.