SCHEMBL3549423

SCHEMBL3549423

COC(=O)C(=O)Nc1cnc(N2CCC(C(=O)OC)CC2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
NEK2 P51955 1/20 0.43
MALT1 Q9UDY8 6/20 0.42
OPRK1 P41145 3/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
DHODH Q02127 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
LIMK2 P53671 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
SCHEMBL3539277 0.89 KDM4E (0.45) KDM4ENEK2MALT1OPRK1LMNA
SCHEMBL13009740 0.84 ENPP1 (0.41) MALT1OPRK1MAPK1MEN1KMT2A
SCHEMBL3542120 0.81 OPRK1 (0.40) MALT1OPRK1LMNAMAPK1ALDH1A1
SCHEMBL4110130 0.80 OPRK1 (0.54) KDM4EOPRK1
SCHEMBL3538620 0.80 NEK2 (0.52) KDM4ENEK2MALT1OPRK1LMNA
SCHEMBL16449195 0.80 KDM4E (0.51) KDM4ENEK2MALT1OPRK1LMNA
SCHEMBL3548540 0.79 KDM4E (0.54) KDM4ELMNAMEN1KMT2ASMN1; SMN2
SCHEMBL12723970 0.77 MALT1 (0.38) KDM4EMALT1
SCHEMBL1588476 0.77 MALT1 (0.38) KDM4EMALT1
SCHEMBL1588477 0.77 MALT1 (0.38) KDM4EMALT1

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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (2 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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 KDM4E 3511/4885NEK2 2711/4885MALT1 2545/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 KDM4E 3382/4885NEK2 2909/4885MALT1 2385/4885

“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.