SCHEMBL1476652

SCHEMBL1476652

C[Si](C)(C)C#Cc1ccc(F)c(CNS(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
LMNA P02545 2/20 0.36
SETDB1 Q15047 1/20 0.35
LOX P28300 1/20 0.34
IDO1 P14902 1/20 0.34
NAMPT P43490 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRA6 Q16445 1/20 0.32
TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL6180348 0.81 GABRA1 (0.36) LOXGABRA1GABRG2GABRB3GABRA5
SCHEMBL1477497 0.80 SETDB1 (0.43) IKBKBCHUKLMNASETDB1
SCHEMBL3837338 0.80 ALDH1A1 (0.38) LMNASETDB1KMT2AMEN1GABRA1
SCHEMBL1477955 0.79 KDR (0.36) IKBKBCHUK
SCHEMBL6557230 0.77 SMN1; SMN2 (0.39) LMNAKMT2AGABRA1GABRG2GABRB3
SCHEMBL18097560 0.75 FFAR1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1476698 0.75 GABRA1 (0.42) LMNANAMPTGABRA1GABRG2GABRB3
SCHEMBL13104121 0.74 LMNA (0.43) IKBKBCHUKLMNASETDB1KMT2A
SCHEMBL26951264 0.74 GABRA1 (0.30) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1476738 0.74 GABRA1 (0.41) LMNAIDO1GABRA1GABRG2GABRB3

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 IKBKB 3797/4885CHUK 1616/4885LMNA 3857/4885

“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.