SCHEMBL2774079

SCHEMBL2774079

CN(CCO)Cc1cccc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEP1A Q16819 1/20 0.49
MEP1B Q16820 1/20 0.49
SIGMAR1 Q99720 2/20 0.45
TMEM97 Q5BJF2 1/20 0.44
GLA P06280 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SLC6A3 Q01959 2/20 0.43
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
PDK1 Q15118 1/20 0.40
IDH1 O75874 1/20 0.40
BRD4 O60885 1/20 0.40
ABCB1 P08183 1/20 0.40
NR3C1 P04150 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL410067 0.84 MEP1B (0.58) MEP1AMEP1BGLASLC6A2SLC6A4
SCHEMBL535512 0.82 MEP1A (0.54) MEP1AMEP1BSIGMAR1TMEM97SLC6A2
SCHEMBL2772582 0.82 TSHR (0.44) MEP1AMEP1BSIGMAR1TMEM97GLA
SCHEMBL6125252 0.80 SIGMAR1 (0.52) SIGMAR1TMEM97MAOB
SCHEMBL153971 0.80 MEP1A (0.53) MEP1AMEP1BGLASLC6A2SLC6A4
SCHEMBL407703 0.80 SLC6A2 (0.45) MEP1AMEP1BGLASLC6A2SLC6A4
SCHEMBL2773568 0.79 MEP1A (0.57) MEP1AMEP1BSIGMAR1TMEM97GLA
SCHEMBL2773062 0.78 MEP1B (0.52) MEP1AMEP1BSLC6A2SLC6A4SLC6A3
SCHEMBL13175212 0.77 CYP2D6 (0.56) SIGMAR1PDCD1CD274BRD4HSD17B10
SCHEMBL17454810 0.77 AOC3 (0.52) MEP1AMEP1BGLASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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 (1 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 MEP1A 2944/4885MEP1B 2388/4885SIGMAR1 2426/4885

“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.