SCHEMBL4819554

SCHEMBL4819554

CC(C)(C)OC(=O)n1cnc2cc(I)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 5/20 0.49
GABRB3 P28472 5/20 0.49
GABRA5 P31644 5/20 0.49
GABRA1 P14867 4/20 0.39
GABRA2 P47869 4/20 0.39
GABRA3 P34903 3/20 0.39
GABRA6 Q16445 3/20 0.39
RIPK1 Q13546 1/20 0.37
RIPK3 Q9Y572 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
HTR6 P50406 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
BCHE P06276 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
HCAR1 Q9BXC0 1/20 0.34
GFER P55789 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
SCHEMBL4816124 0.90 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL1455275 0.84 HTR6 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL832377 0.84 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL30847454 0.83 SIK1 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL559567 0.83 SIK1 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA2
SCHEMBL482648 0.83 NR1H2 (0.43) GABRG2GABRB3GABRA5RIPK1RIPK3
SCHEMBL135567 0.82 KMT2A (0.52) KMT2AMEN1SMN1; SMN2BCHEALDH1A1
SCHEMBL34467402 0.82 FGFR1 (0.51) RIPK1RIPK3KMT2AMEN1ALDH1A1
SCHEMBL6174196 0.82 HCAR3 (0.53) RIPK1RIPK3ALDH1A1HPGD
SCHEMBL16507312 0.81 RIPK1 (0.36) GABRG2GABRB3GABRA5GABRA1GABRA2

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.