SCHEMBL1450253

SCHEMBL1450253

Cc1ncccc1Nc1cccc2c1OCC(=O)N2C1CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTR6 P50406 2/20 0.36
WNT3 P56703 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
OXTR P30559 3/20 0.35
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
MARK3 P27448 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL4572385 0.88 GPR119 (0.51) KCNH2GPR119
SCHEMBL4572370 0.88 GPR119 (0.41) GPR119
SCHEMBL1449965 0.83 GPR119 (0.37) WNT3GPR119EPHX2
SCHEMBL1449951 0.83 GPR119 (0.44) HTR6WNT3GPR119OXTRMARK3
SCHEMBL1450076 0.81 EPHX2 (0.35) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL1450744 0.76 HTR1A (0.39) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL1450264 0.73 GPR119 (0.45) GPR119
SCHEMBL11913093 0.72 GPR119 (0.46) GPR119
SCHEMBL11913094 0.72 GPR119 (0.59) KCNH2GPR119
SCHEMBL4572393 0.71 GPR119 (0.53) KCNH2GPR119

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-8513265-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
US-20130116237-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 US disclosed
US-8314095-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 US disclosed
US-20120202790-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-08-09 US disclosed
EP-2144902-B1 [6,6]AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-05-16 EP disclosed
US-8076322-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-13 US disclosed
US-20110136783-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-06-09 US disclosed
US-7910583-B2 [6,6] and [6,7]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-22 US disclosed
EP-2144902-A1 [6,6]AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-01-20 EP disclosed
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 US disclosed
WO-2008137435-A1 [6,6] AND [6,7]-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 (4 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-20110136783-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 HTR1A 181/4885HTR1D 176/4885HTR1B 104/4885
US-20130116237-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 HTR1A 181/4885HTR1D 176/4885HTR1B 104/4885
US-20080293690-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 HTR1A 181/4885HTR1D 176/4885HTR1B 104/4885
US-20120202790-A1 [6,6] AND [6,7]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR6, GPR139 HTR1A 181/4885HTR1D 176/4885HTR1B 104/4885

“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.