SCHEMBL1476032

SCHEMBL1476032

C[Si](C)(C)C#Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.56
FFAR1 O14842 1/20 0.48
EPHX2 P34913 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GPR3 P46089 1/20 0.36
MPI P34949 1/20 0.35
XDH P47989 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL16984726 0.81 GRM5 (0.56) GRM5FFAR1EPHX2KCNH2SCN10A
SCHEMBL852844 0.80 GRM5 (0.59) GRM5FFAR1CHRM2CHRM1CHRM3
SCHEMBL3485737 0.80 ACACB (0.43) EPHX2
SCHEMBL13597746 0.79 GRM5 (0.53) GRM5FFAR1KCNH2SCN10ACTSS
SCHEMBL4710847 0.78 GRM5 (0.70) GRM5
SCHEMBL18834037 0.77 GRM5 (0.52) GRM5FFAR1CTSSCTSKCHRM2
SCHEMBL10300047 0.77 FFAR1 (0.58) GRM5FFAR1KCNH2CHRM2CHRM1
SCHEMBL30278437 0.77 GRM5 (0.59) GRM5FFAR1
SCHEMBL3614755 0.76 GRM5 (0.39) GRM5
SCHEMBL4717083 0.76 GRM5 (0.34) GRM5

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
US-7915424-B2 Analgesics; anxiolytic agents ELI LILLY AND COMPANY (US) 2011-03-29 US disclosed
EP-1729771-B1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-10-14 EP disclosed
US-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists ELI LILLY AND COMPANY (US) 2008-08-14 US disclosed
EP-1729771-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS Eli Lilly & Company (US) 2006-12-13 EP disclosed
WO-2005094822-A1 PYRIDYL DERIVATIVES AND THEIR USE AS MGLU5 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-13 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-20080194647-A1 Pyridyl Derivatives and Their Use as Mglu5 Antagonists HRH4, CNR2, CNR1 GRM5 48/4885FFAR1 416/4885EPHX2 882/4885

“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.