SCHEMBL4551027

SCHEMBL4551027

COc1ccc(-c2nc(COC3CCN(C(=O)OC(C)(C)C)CC3)no2)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.49
S1PR1 P21453 3/20 0.48
TBK1 Q9UHD2 6/20 0.46
IKBKE Q14164 1/20 0.46
CETP P11597 2/20 0.46
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
NSD2 O96028 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL4414174 0.89 GPR119 (0.49) GPR119TBK1CETP
SCHEMBL4655448 0.89 S1PR1 (0.53) S1PR1TBK1
SCHEMBL13602311 0.88 GPR119 (0.51) GPR119CETPPDE4APDE4BPDE4C
SCHEMBL4415816 0.86 CETP (0.55) GPR119CETP
SCHEMBL4412857 0.84 GPR119 (0.51) GPR119TBK1CETP
SCHEMBL386184 0.84 GPR119 (0.54) GPR119TBK1IKBKECETP
SCHEMBL12548315 0.82 GPR119 (0.57) GPR119CETP
SCHEMBL13602338 0.81 GPR119 (0.56) GPR119CETP
SCHEMBL4418527 0.81 GPR119 (0.58) GPR119CETP
SCHEMBL4113375 0.81 GPR119 (0.52) GPR119S1PR1TBK1IKBKECETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 US disclosed
US-20090325924-A1 GPCR Agonists PROSIDION LIMITED (GB) 2009-12-31 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-20090325924-A1 GPCR Agonists GPR119, GCGR, GPR27 GPR119 1/4885S1PR1 308/4885TBK1 1003/4885

“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.