SCHEMBL3545484

SCHEMBL3545484

COC(=O)C1CCCCN1c1[c]nccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
SCN9A Q15858 2/20 0.38
FKBP1A P62942 4/20 0.38
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
KMT2A Q03164 1/20 0.36
FPR2 P25090 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LTA4H P09960 2/20 0.35
ALOX5 P09917 1/20 0.35
GAA P10253 1/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35

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
SCHEMBL15415528 0.86 SMN1; SMN2 (0.36) KMT2AGAA
SCHEMBL3544334 0.84 SMN1; SMN2 (0.47) OGFRL1KMT2A
SCHEMBL3548841 0.80 NOS2 (0.37) ADORA2AADORA1
SCHEMBL15415264 0.75 ADORA2A (0.40) OPRM1OPRD1OPRK1OGFRL1SCN9A
SCHEMBL27551310 0.74 FKBP1A (0.47) OPRM1OPRD1OPRK1OGFRL1SCN9A
SCHEMBL29671561 0.74 FKBP1A (0.47) OPRM1OPRD1OPRK1OGFRL1SCN9A
SCHEMBL2067448 0.74 CHRNB4 (0.32)
SCHEMBL3548296 0.73 FFAR1 (0.46)
SCHEMBL557645 0.72 BCHE (0.39)
SCHEMBL26246206 0.72 MMP2 (0.43) OPRM1OPRD1OPRK1OGFRL1SCN9A

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 OPRM1 993/4885OPRD1 678/4885OPRK1 1124/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 OPRM1 956/4885OPRD1 561/4885OPRK1 1053/4885

“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.