SCHEMBL408930

SCHEMBL408930

CCc1cc(C#N)ccc1CN(C)CC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 8/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4C Q9H3R0 1/20 0.35
ACACB O00763 1/20 0.35
POLB P06746 1/20 0.35
FNTA P49354 4/20 0.35
FNTB P49356 4/20 0.35
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ11 Q14654 1/20 0.34
KCNJ8 Q15842 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 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
SCHEMBL2775844 0.88 ABCB1 (0.42) ABCB1HTTNPSR1POLBFNTA
SCHEMBL405794 0.88 HTT (0.47) ABCB1HTTNPSR1POLBFNTA
SCHEMBL406404 0.87 ABCB1 (0.41) ABCB1HTTNPSR1
SCHEMBL408771 0.87 ABCB1 (0.41) ABCB1HTTNPSR1POLBFNTA
SCHEMBL403900 0.87 HTT (0.54) ABCB1HTTNPSR1POLBFNTA
SCHEMBL410797 0.86 ABCB1 (0.41) ABCB1HTTNPSR1POLB
SCHEMBL410467 0.85 ABCB1 (0.40) ABCB1HTTNPSR1ACACBPOLB
SCHEMBL405751 0.85 ABCB1 (0.40) ABCB1HTTNPSR1FNTAFNTB
SCHEMBL408817 0.81 POLB (0.52) ABCB1HTTPOLBCTSLCTSB
SCHEMBL27001692 0.78 ABCB1 (0.43) ABCB1HTTNPSR1FNTAFNTB

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-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (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.