SCHEMBL1128923

SCHEMBL1128923

CS(=O)(=O)c1ccc(Oc2ncnc3c2cnn3C2CCN(Cc3cccc(OC(F)(F)F)c3)CC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.74
PRKAA2 P54646 3/20 0.49
OPRM1 P35372 1/20 0.44
FAAH O00519 1/20 0.42
CHRM3 P20309 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
CXCR3 P49682 1/20 0.39
NR3C1 P04150 1/20 0.39
GPR6 P46095 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
P2RY1 P47900 1/20 0.38
RIPK2 O43353 1/20 0.37

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
SCHEMBL1128729 0.88 CYP3A4 (0.74) CYP3A4OPRM1FAAHCYP2C9NR3C1
SCHEMBL1128946 0.87 CYP3A4 (0.80) CYP3A4FAAHNR3C1
SCHEMBL1128939 0.86 CYP3A4 (0.68) CYP3A4FAAHCHRM3CYP2C9CXCR3
SCHEMBL4364480 0.85 CYP3A4 (1.00) CYP3A4CYP2C9NR3C1
SCHEMBL1129071 0.84 CYP3A4 (0.83) CYP3A4PRKAA2CYP2C9
SCHEMBL1128783 0.83 CYP3A4 (0.82) CYP3A4CYP2C9NR3C1
SCHEMBL1128689 0.83 CYP3A4 (0.82) CYP3A4PRKAA2
SCHEMBL1128593 0.81 CYP3A4 (0.71) CYP3A4PRKAA2FAAHCYP2C9
SCHEMBL4362241 0.81 CYP3A4 (0.78) CYP3A4CYP2C9NR3C1
SCHEMBL1128932 0.80 CYP3A4 (0.69) CYP3A4OPRM1CYP2C9NR3C1

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 1503/4885PRKAA2 2297/4885OPRM1 352/4885

“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.