SCHEMBL1476738

SCHEMBL1476738

CC(C)(C)OC(=O)NCc1cc(C#C[Si](C)(C)C)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRA6 Q16445 3/20 0.41
PTPN11 Q06124 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ADRA2A P08913 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
P2RY6 Q15077 1/20 0.38
KDM4A O75164 1/20 0.38
GLS O94925 1/20 0.38
HTT P42858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL15729791 0.91 GABRA1 (0.41) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL6557230 0.88 SMN1; SMN2 (0.39) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL24837858 0.87 GABRA1 (0.42) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL30178965 0.87 GABRA1 (0.42) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL24838771 0.85 GABRA1 (0.42) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL1476698 0.85 GABRA1 (0.42) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL30683092 0.84 GABRA1 (0.40) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL24837814 0.84 TRPV1 (0.42) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL24838313 0.84 IDO1 (0.43) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL26931830 0.84 GABRA1 (0.41) GABRA1GABRA5GABRG2GABRB3GABRA3

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 GABRA1 522/4885GABRA5 318/4885GABRG2 864/4885

“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.