SCHEMBL940673

SCHEMBL940673

CC(C)(C)OC(=O)N1CC=C(c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.56
GPR119 Q8TDV5 2/20 0.53
PDK4 Q16654 1/20 0.52
GRM1 Q13255 11/20 0.50
GRM5 P41594 10/20 0.50
LIPE Q05469 1/20 0.47
TNK2 Q07912 1/20 0.47
BTK Q06187 1/20 0.47
CDK7 P50613 1/20 0.46
CDK13 Q14004 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
HTR6 P50406 1/20 0.45

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
SCHEMBL21381767 0.89 GPR119 (0.52) NAMPTGPR119PDK4GRM1GRM5
SCHEMBL13993114 0.88 PDK4 (0.53) NAMPTPDK4GRM1GRM5TNK2
SCHEMBL8193684 0.86 NAMPT (0.59) NAMPTGPR119PDK4GRM1GRM5
SCHEMBL31466040 0.86 GRM1 (0.55) NAMPTGPR119PDK4GRM1GRM5
SCHEMBL2297459 0.85 NAMPT (0.58) NAMPTGPR119PDK4GRM1GRM5
SCHEMBL2594283 0.85 GRM1 (0.65) NAMPTPDK4GRM1GRM5
SCHEMBL8912847 0.84 NAMPT (0.63) NAMPTGPR119PDK4GRM1GRM5
SCHEMBL904049 0.83 NAMPT (0.61) NAMPTGPR119PDK4GRM1GRM5
SCHEMBL4949303 0.83 TRPV1 (0.45)
SCHEMBL18619842 0.82 NAMPT (0.60) NAMPTPDK4GRM1GRM5TNK2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF GUANGDONG GOOD MEDICINE AND HEALTH TECHNOLOGY CO., LTD (CN) 2017-11-02 US disclosed
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF GUANGDONG GOOD MEDICINE AND HEALTH TECHNOLOGY CO., LTD (CN) 2017-11-02 US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080306065-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-7427631-B2 especially as inhibitors of MMP12 ASTRAZENECA AB (SE) 2008-09-23 US disclosed
US-20080171882-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators ASTRAZENECA AB (SE) 2007-02-08 US disclosed
EP-1370556-B1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-07-19 EP disclosed
EP-1676846-A2 Hydantoin derivatives as MMP inhibitors AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040127528-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-01 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 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 (8 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-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 NAMPT 1000/4885GPR119 4482/4885PDK4 2780/4885
US-20080306065-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 NAMPT 1000/4885GPR119 4482/4885PDK4 2780/4885
US-20170313697-A1 PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AND USE THEREOF ABCG2, ABCC1, PNPO NAMPT 286/4885GPR119 3243/4885PDK4 630/4885
US-20070032469-A1 Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators GRM2, GRM1, GRIN2B NAMPT 3926/4885GPR119 86/4885PDK4 1921/4885
US-20080171882-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 NAMPT 1000/4885GPR119 4482/4885PDK4 2780/4885
US-20080318999-A1 Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators GRM2, GRM1, GRIN2B NAMPT 3926/4885GPR119 86/4885PDK4 1921/4885
US-20040127528-A1 Metalloproteinase inhibitors MMP9, MMP10, MMP3 NAMPT 609/4885GPR119 4215/4885PDK4 3167/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 NAMPT 2518/4885GPR119 2739/4885PDK4 4225/4885

“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.