SCHEMBL4354254

SCHEMBL4354254

Cc1nnnn1-c1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.69
GPR119 Q8TDV5 14/20 0.51
CYP2C9 P11712 1/20 0.47
NR3C1 P04150 2/20 0.46
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
ATR Q13535 1/20 0.40
AURKB Q96GD4 1/20 0.40

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
SCHEMBL2021635 0.92 CYP3A4 (0.69) CYP3A4GPR119CYP2C9NR3C1PIK3CA
SCHEMBL2016352 0.90 CYP3A4 (0.69) CYP3A4GPR119CYP2C9NR3C1PIK3CA
SCHEMBL1128554 0.89 CYP3A4 (0.55) CYP3A4GPR119CYP2C9NR3C1
SCHEMBL4357368 0.89 CYP3A4 (0.54) CYP3A4GPR119CYP2C9PIK3CAMTOR
Trifluoroacetic Acid SCHEMBL1128553 0.87 CYP3A4 (0.52) CYP3A4GPR119CYP2C9
SCHEMBL1128356 0.85 CYP3A4 (0.73) CYP3A4GPR119CYP2C9NR3C1PIK3CA
SCHEMBL2015475 0.85 CYP3A4 (0.76) CYP3A4GPR119CYP2C9NR3C1PIK3CA
SCHEMBL1128343 0.85 CYP3A4 (0.81) CYP3A4GPR119CYP2C9NR3C1PIK3CA
SCHEMBL1129044 0.85 CYP3A4 (0.70) CYP3A4GPR119CYP2C9NR3C1PIK3CA
SCHEMBL2016790 0.85 CYP3A4 (0.75) CYP3A4GPR119CYP2C9NR3C1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US claimed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US claimed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CYP3A4 1503/4885GPR119 1/4885CYP2C9 917/4885

“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.