SCHEMBL10169488

SCHEMBL10169488

CC(C)(C)OC(=O)N1CCC(n2nnc3c(Nc4ccc(C#N)cc4Cl)nccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.53
IRAK4 Q9NWZ3 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL13971406 0.92 GPR119 (0.54) GPR119IRAK4CYP3A4CYP2C9
SCHEMBL303811 0.88 GPR119 (0.41) GPR119
SCHEMBL10137703 0.86 GPR119 (0.49) GPR119CYP3A4CYP2C9
SCHEMBL12648955 0.79 CYP3A4 (0.64) GPR119IRAK4CYP3A4CYP2C9
SCHEMBL13971405 0.79 GPR119 (0.76) GPR119IRAK4CYP3A4CYP2C9
SCHEMBL10137673 0.79 GPR119 (0.78) GPR119CYP3A4CYP2C9
SCHEMBL10137678 0.78 GPR119 (0.52) GPR119
SCHEMBL12596415 0.76 GPR119 (0.56) GPR119IRAK4CYP3A4CYP2C9
SCHEMBL10137715 0.74 GPR119 (0.83) GPR119CYP3A4CYP2C9
SCHEMBL6154205 0.71 GPR119 (0.54) GPR119IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476283-B2 [6,5]—bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-03-29 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-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2008137436-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-13 WO 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 (2 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 GPR119 1/4885IRAK4 2946/4885CYP3A4 1283/4885
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 GPR119 1/4885IRAK4 2946/4885CYP3A4 1283/4885

“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.