SCHEMBL4083087

SCHEMBL4083087

CC(C)(C)OC(=O)N1CC=C(OS(C)(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.48
GRM5 P41594 9/20 0.45
HTR6 P50406 1/20 0.44
GRM1 Q13255 9/20 0.43
GPR119 Q8TDV5 2/20 0.43
NAMPT P43490 1/20 0.42
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN9A Q15858 1/20 0.39

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
SCHEMBL17000128 0.92 PDK4 (0.44) PDK4GRM5HTR6GRM1GPR119
SCHEMBL19979152 0.88 GPR119 (0.42) PDK4GPR119ESR2NR1H2USP2
SCHEMBL20145518 0.86 PDK4 (0.39) PDK4GRM5HTR6GPR119NAMPT
SCHEMBL212403 0.85 PDK4 (0.46) PDK4GRM5HTR6GRM1GPR119
SCHEMBL18293252 0.81 PDK4 (0.48) PDK4GRM5HTR6GRM1NAMPT
SCHEMBL4281295 0.80 PDK4 (0.42) PDK4GRM5HTR6GRM1GPR119
SCHEMBL20459306 0.79 PDK4 (0.49) PDK4GRM5HTR6GRM1GPR119
SCHEMBL18068367 0.79 PDK4 (0.46) PDK4GRM5HTR6GRM1NAMPT
SCHEMBL29233999 0.79 PDK4 (0.46) PDK4GRM5HTR6GRM1NAMPT
SCHEMBL729706 0.79 GRM5 (0.48) PDK4GRM5GRM1NAMPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598407-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2017-03-21 US disclosed
US-9296760-B2 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2016-03-29 US disclosed
US-20150225424-A1 Antibacterial compounds JANSSEN SCIENCES IRELAND UC (IE) 2015-08-13 US disclosed
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2015-06-11 US disclosed
US-9012634-B2 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN R&D IRELAND (IE) 2015-04-21 US disclosed
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-04-16 US disclosed
WO-2015022662-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF MEK NOVARTIS AG (CH) 2015-02-19 WO disclosed
US-8957081-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2015-02-17 US disclosed
US-20140163038-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones JANSSEN SCIENCES IRELAND UC (IE) 2014-06-12 US disclosed
US-8399450-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-03-19 US disclosed
US-8377921-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-02-19 US disclosed
US-8372858-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2013-02-12 US disclosed
US-20130005748-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2013-01-03 US disclosed
US-20110257154-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-20110257155-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-08-04 US disclosed
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2009-03-05 US disclosed
EP-1778670-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM Pharma A/S (DK) 2007-05-02 EP disclosed
WO-2006010446-A2 MEDICINAL USE OF RECEPTOR LIGANDS 7TM PHARMA A/S (DK) 2006-02-02 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 (9 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-20140163038-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones FAR1, DNASE1, LAMP1 PDK4 673/4885GRM5 4686/4885HTR6 4784/4885
US-20150225424-A1 Antibacterial compounds FAR1, GAA, ECI1 PDK4 1564/4885GRM5 4635/4885HTR6 4830/4885
US-20150158866-A1 Antibacterial piperidinyl substituted 3,4-dihydro-1H-[1,8]naphthyridinones NQO2, ALPI, ECI1 PDK4 432/4885GRM5 4621/4885HTR6 4733/4885
US-20110190259-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 PDK4 978/4885GRM5 3224/4885HTR6 3647/4885
US-20150105390-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 PDK4 978/4885GRM5 3224/4885HTR6 3647/4885
US-20090062317-A1 MEDICINAL USE OF RECEPTOR LIGANDS MCHR1, MCHR2, MC1R PDK4 1915/4885GRM5 447/4885HTR6 217/4885
US-20110257154-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 PDK4 978/4885GRM5 3224/4885HTR6 3647/4885
US-20110257155-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 PDK4 978/4885GRM5 3224/4885HTR6 3647/4885
US-20130005748-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ZAP70, IGF1R, PTK2 PDK4 978/4885GRM5 3224/4885HTR6 3647/4885

“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.