SCHEMBL3540420

SCHEMBL3540420

O=C(O)Nc1ccc(C2CCC3(CC2)OCCO3)nc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
DGAT1 O75907 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.38
PDE10A Q9Y233 3/20 0.38
WNT3A P56704 2/20 0.38
TRPV3 Q8NET8 1/20 0.38
PTPN11 Q06124 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL629954 0.90 TRPV3 (0.42) IDO1DGAT1MAPK1PDE10AWNT3A
SCHEMBL628671 0.85 IDO1 (0.40) IDO1DGAT1MAPK1TRPV3
SCHEMBL13009518 0.81 ROCK2 (0.46) ALDH1A1MAPK1NPC1RAB9A
SCHEMBL629125 0.79 MET (0.45) IDO1ALDH1A1PDE10ATRPV3
SCHEMBL15185518 0.77 RAB9A (0.53) NPC1RAB9A
SCHEMBL3549855 0.77 WNT3A (0.40) IDO1DGAT1PDE10AWNT3ANPC1
SCHEMBL25190562 0.76 TRPV3 (0.42) IDO1ALDH1A1MAPK1PDE10ATRPV3
SCHEMBL16660961 0.76 TRPV3 (0.40) MAPK1PDE10ATRPV3
SCHEMBL4482079 0.76 MAPK1 (0.44) ALDH1A1MAPK1PDE10ATRPV3NPC1
SCHEMBL15168032 0.74 RAB9A (0.43) NPC1RAB9A

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-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 IDO1 2690/4885DGAT1 1/4885ALDH1A1 314/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 IDO1 2567/4885DGAT1 1/4885ALDH1A1 303/4885

“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.