SCHEMBL1128962

SCHEMBL1128962

CC(C)(C)OC(=O)N1CCC(n2ncc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 1.00
CYP2C9 P11712 1/20 1.00
GPR119 Q8TDV5 18/20 0.77

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
SCHEMBL1128592 0.90 CYP3A4 (0.82) CYP3A4CYP2C9GPR119
SCHEMBL12596533 0.90 CYP3A4 (0.82) CYP3A4CYP2C9GPR119
SCHEMBL303668 0.89 CYP2C9 (0.80) CYP3A4CYP2C9GPR119
SCHEMBL4352336 0.89 CYP3A4 (0.79) CYP3A4CYP2C9GPR119
SCHEMBL12395276 0.88 CYP3A4 (0.79) CYP3A4CYP2C9GPR119
SCHEMBL12596372 0.88 CYP3A4 (0.78) CYP3A4CYP2C9GPR119
SCHEMBL1128568 0.87 CYP3A4 (0.77) CYP3A4CYP2C9GPR119
SCHEMBL1128957 0.87 CYP3A4 (0.77) CYP3A4CYP2C9GPR119
SCHEMBL10137683 0.87 GPR119 (1.00) CYP3A4CYP2C9GPR119
SCHEMBL12596547 0.86 CYP3A4 (0.76) CYP3A4CYP2C9GPR119

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 16 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
US-8093257-B2 [6,5]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-8093257-B2 [6,5]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION 2011-05-19 US disclosed
US-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION 2011-05-19 US disclosed
EP-2283019-A1 GPR119 RECEPTOR AGONISTS F. Hoffmann-La Roche AG (CH) 2011-02-16 EP disclosed
WO-2010009207-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION (US) 2010-01-21 WO 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
US-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 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 (3 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-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 CYP3A4 1283/4885CYP2C9 767/4885GPR119 1/4885
US-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CYP3A4 1503/4885CYP2C9 917/4885GPR119 1/4885
US-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS GPR119, GCGR, GPR35 CYP3A4 1059/4885CYP2C9 709/4885GPR119 1/4885

“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.