SCHEMBL4816124

SCHEMBL4816124

CC(C)(C)OC(=O)n1cnc2ccc(I)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA1 P14867 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRA6 Q16445 1/20 0.38
BCHE P06276 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
GFER P55789 1/20 0.35
HTR6 P50406 1/20 0.34
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 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
SCHEMBL4819554 0.90 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL832385 0.86 BRD4 (0.40) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL7479053 0.86 HTR6 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL29929897 0.84 USP30 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL1304008 0.84 GFER (0.45) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL482833 0.84 NR1H2 (0.43) GABRG2GABRB3GABRA5BCHEKDM4E
SCHEMBL559566 0.84 USP30 (0.38) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL30962501 0.83 FGFR1 (0.50) ALDH1A1KMT2AMEN1GFER
SCHEMBL2143624 0.83 FGFR1 (0.50) ALDH1A1KMT2AMEN1GFER
SCHEMBL5780128 0.82 FGFR1 (0.36) GABRG2GABRB3GABRA5BCHEKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US 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-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 GABRG2 2350/4885GABRB3 1736/4885GABRA5 2193/4885

“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.