SCHEMBL406833

SCHEMBL406833

CC(C)(C)[Si](C)(C)OCCOc1ccc(C#N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.39
ICMT O60725 4/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
NPY5R Q15761 1/20 0.33
SLC6A9 P48067 1/20 0.33
USP30 Q70CQ3 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL16808295 0.94 HRH3 (0.39) ARICMTHRH3NR3C1PGR
SCHEMBL23132941 0.84 ICMT (0.36) ICMTTRPV4
SCHEMBL19032942 0.84 ICMT (0.46) ARICMTTRPV4EGLN2
SCHEMBL7358707 0.80 ICMT (0.34) ICMTTRPV4
SCHEMBL2253176 0.80 GAA (0.39)
SCHEMBL27176780 0.80 CYP19A1 (0.36) ARICMTNR3C1PGRNR3C2
SCHEMBL30087174 0.80 CYP19A1 (0.36) ARICMTNR3C1PGRNR3C2
SCHEMBL15292538 0.79 AR (0.42) ARICMTHRH3NR3C1PGR
SCHEMBL16808234 0.79 MRGPRX4 (0.44) ARICMTPTGDR2TRPV4
SCHEMBL23754946 0.79 ALDH1A1 (0.50) HRH3

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-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US 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

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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB AR 4327/4885ICMT 4143/4885HRH3 895/4885

“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.