SCHEMBL1128729

SCHEMBL1128729

CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(Cc3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.74
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
NR3C1 P04150 2/20 0.43
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
FAAH O00519 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
CYP2C9 P11712 1/20 0.40
CCR8 P51685 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
SCHEMBL1128946 0.92 CYP3A4 (0.80) CYP3A4DRD2DRD4DRD3ALDH1A1
SCHEMBL1128783 0.91 CYP3A4 (0.82) CYP3A4LMNAALDH1A1MAPK1NR3C1
SCHEMBL1128939 0.88 CYP3A4 (0.68) CYP3A4DRD2DRD4DRD3FAAH
SCHEMBL1128923 0.88 CYP3A4 (0.74) CYP3A4NR3C1FAAHCYP2C9OPRM1
SCHEMBL1128689 0.88 CYP3A4 (0.82) CYP3A4LMNAALDH1A1MAPK1PDE1A
SCHEMBL4362241 0.87 CYP3A4 (0.78) CYP3A4NR3C1PDE1APDE1BPDE1C
SCHEMBL1129071 0.87 CYP3A4 (0.83) CYP3A4AKT1AKT2CYP2C9
SCHEMBL4364480 0.85 CYP3A4 (1.00) CYP3A4NR3C1AKT1AKT2KCNH2
SCHEMBL1128593 0.82 CYP3A4 (0.71) CYP3A4DRD4PDE1BFAAHAKT1
SCHEMBL1128932 0.82 CYP3A4 (0.69) CYP3A4NR3C1CYP2C9OPRM1

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 9 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-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
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO 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 1503/4885DRD2 935/4885DRD4 2435/4885

“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.