SCHEMBL3545222

SCHEMBL3545222

COC(=O)c1cn[c]c(C)c1N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA1 P30542 1/20 0.39
PDE4B Q07343 1/20 0.39
MAPT P10636 1/20 0.36
POLB P06746 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
SCHEMBL3539779 0.84 SMN1; SMN2 (0.38) SMN1; SMN2KDM4EPDE4BMAPTPOLB
SCHEMBL3546866 0.81 KDM4E (0.40) OPRK1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL3771669 0.77 MAPT (0.35) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL15415265 0.73 OPRK1 (0.44) OPRK1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL3545684 0.72 POLB (0.33) SMN1; SMN2KDM4ERAB9AADORA1PDE4B
SCHEMBL3545485 0.70 KDM4E (0.44) OPRK1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL3546952 0.70 NPSR1 (0.37) SMN1; SMN2KDM4ENPC1RAB9ANPSR1
SCHEMBL29274946 0.70 KDM4E (0.46) OPRK1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL21171716 0.68 OPRK1 (0.73) OPRK1
SCHEMBL3537755 0.67 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ENPSR1POLB

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 9 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 claimed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US claimed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP claimed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
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-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 OPRK1 1124/4885SMN1; SMN2 4452/4885KDM4E 3511/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 OPRK1 1053/4885SMN1; SMN2 4458/4885KDM4E 3382/4885

“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.