SCHEMBL3556028

SCHEMBL3556028

N#Cc1ccc2c(c1)COC(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
PGR P06401 3/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
PNMT P11086 1/20 0.39
PRF1 P14222 2/20 0.38
PDE3B Q13370 3/20 0.38
PDE3A Q14432 3/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
CTSC P53634 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
GSK3B P49841 2/20 0.36
GSK3A P49840 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
TNKS O95271 1/20 0.36

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
SCHEMBL3378376 0.79 CNR2 (0.42) CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL31261247 0.75 CYP11B1 (0.51) CYP11B1CYP11B2PGRPDE3BPDE3A
SCHEMBL13692913 0.75 CYP11B1 (0.51) CYP11B1CYP11B2PNMTPDE3BPDE3A
SCHEMBL30695802 0.75 CYP11B1 (0.51) CYP11B1CYP11B2PDE3BPDE3AKCNH2
SCHEMBL787497 0.75 CYP11B1 (0.51) CYP11B1CYP11B2PDE3BPDE3AKCNH2
SCHEMBL3068531 0.75 AHR (0.56) CYP11B1CYP11B2PGRPDE3BPDE3A
SCHEMBL434348 0.75 CYP11B1 (0.51) CYP11B1CYP11B2PDE3BPDE3AKCNH2
SCHEMBL10916724 0.75 CYP11B1 (0.51) CYP11B1CYP11B2DRD2PDE3BPDE3A
SCHEMBL3597262 0.75 CYP11B1 (0.51) CYP11B1CYP11B2PDE3BPDE3AKCNH2
SCHEMBL3597266 0.75 LMNA (0.51) CYP11B1CYP11B2PRF1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1959951-B1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS HOFFMANN LA ROCHE (CH) 2009-12-23 EP disclosed
EP-1959951-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. Hoffmann-la Roche AG (CH) 2008-08-27 EP disclosed
WO-2007063012-A1 HETEROARYL SUBSTITUTED PIPERIDINE DERIVATIVES AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 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 (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-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 CYP11B1 192/4885CYP11B2 365/4885PGR 2925/4885

“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.