SCHEMBL10137696

SCHEMBL10137696

CC(C)(C)OC(=O)N1CCC(n2cnc3c(Cl)ncnc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.50
CDK2 P24941 2/20 0.50
CDK5 Q00535 2/20 0.50
CDK5R1 Q15078 2/20 0.50
PIK3CD O00329 2/20 0.50
HCAR1 Q9BXC0 1/20 0.48
ADORA1 P30542 1/20 0.48
GPR119 Q8TDV5 5/20 0.46
CYP3A4 P08684 2/20 0.45
SRC P12931 3/20 0.45
EGFR P00533 1/20 0.45
ADORA2A P29274 1/20 0.43
CYP1A2 P05177 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.42
NR3C1 P04150 1/20 0.42

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
SCHEMBL3516021 0.88 ADORA2A (0.60) PIK3CDADORA1CYP3A4SRCEGFR
SCHEMBL1913691 0.86 HCAR1 (0.48) CCNA2CDK2CDK5CDK5R1PIK3CD
SCHEMBL30677299 0.86 HCAR1 (0.48) CCNA2CDK2CDK5CDK5R1PIK3CD
SCHEMBL305622 0.82 ADORA2A (0.47) ADORA1CYP3A4ADORA2ACYP1A2NFKB1
SCHEMBL10139717 0.81 SRC (0.53) PIK3CDHCAR1GPR119CYP3A4SRC
SCHEMBL9943531 0.81 GPR119 (0.56) PIK3CDGPR119CYP3A4SRCEGFR
SCHEMBL515111 0.81 GPR119 (0.57) PIK3CDHCAR1GPR119CYP3A4SRC
SCHEMBL19731361 0.81 SRC (0.52) PIK3CDHCAR1GPR119CYP3A4SRC
SCHEMBL17144080 0.80 PIK3CD (0.46) CCNA2CDK2CDK5CDK5R1PIK3CD
SCHEMBL355753 0.80 SRC (0.52) PIK3CDHCAR1GPR119CYP3A4SRC

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 11 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-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-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-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
WO-2010009207-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION (US) 2010-01-21 WO 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 CCNA2 1747/4885CDK2 1016/4885CDK5 1883/4885
US-20110118286-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS GPR119, GCGR, GPR35 CCNA2 2549/4885CDK2 533/4885CDK5 950/4885
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 CCNA2 1747/4885CDK2 1016/4885CDK5 1883/4885

“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.