SCHEMBL1809397

SCHEMBL1809397

CC(C)(C)OC(=O)N1CCCC(=O)c2ccc(Cl)nc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
BUB1 O43683 1/20 0.37
BRD4 O60885 1/20 0.37
MPO P05164 1/20 0.36
POLB P06746 1/20 0.36
RORC P51449 1/20 0.35
ESR2 Q92731 1/20 0.35
PDK4 Q16654 1/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
GBA1 P04062 1/20 0.34
LMNA P02545 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
CKS1B P61024 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
SCHEMBL31445013 0.94 BUB1 (0.38) GPR119KMT2AMEN1BUB1POLB
SCHEMBL30133442 0.88 ESR2 (0.41) KMT2AMEN1BRD4MPOPOLB
SCHEMBL12654612 0.88 ESR2 (0.41) KMT2AMEN1BRD4MPOPOLB
SCHEMBL12654175 0.86 GRM5 (0.39) GPR119BUB1BRD4MPOPIM1
SCHEMBL1808364 0.84 ESR2 (0.41) GPR119KMT2AMEN1BRD4MPO
SCHEMBL30168967 0.84 ESR2 (0.41) GPR119KMT2AMEN1BRD4MPO
SCHEMBL31445324 0.83 POLB (0.36) GPR119KMT2AMEN1BUB1POLB
SCHEMBL1810799 0.81 USP30 (0.45) KMT2AMEN1BRD4RORC
SCHEMBL4247376 0.80 GRM5 (0.39) GPR119BUB1ESR2PDK4PIM1
SCHEMBL30646098 0.79 BUB1 (0.38) GPR119BUB1ESR2PDK4PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 US disclosed
EP-2493888-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-09-05 EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 WO disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 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 (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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GPR119 137/4885KMT2A 1417/4885MEN1 4129/4885

“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.