SCHEMBL3552223

SCHEMBL3552223

O=C(O)Nc1ccc(C2CCC3(CC2)OCCO3)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
LMNA P02545 1/20 0.39
SERPINE1 P05121 1/20 0.38
SMURF2 Q9HAU4 1/20 0.37
SMURF1 Q9HCE7 1/20 0.37
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
JAK3 P52333 1/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 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
SCHEMBL13009689 0.82 MAOB (0.43) MAPT
SCHEMBL23484639 0.78 SLC6A4 (0.44) IKBKETBK1
SCHEMBL3537758 0.78 ESR2 (0.45) SERPINE1SMURF2SMURF1MAPK1ALDH1A1
SCHEMBL3547781 0.75 TP53 (0.40) LMNAALDH1A1MAPTHTT
SCHEMBL1506454 0.74 SLC6A2 (0.47) IKBKETBK1LMNAALDH1A1POLB
SCHEMBL3542983 0.74 IKBKE (0.41) IKBKETBK1MAPK1ALDH1A1POLB
SCHEMBL878961 0.74 CA1 (0.51) SMURF2SMURF1ALDH1A1JAK3POLB
SCHEMBL251729 0.73 ALDH1A1 (0.44) IKBKETBK1LMNAMAPK1ALDH1A1
SCHEMBL31342020 0.72 NPC1 (0.36) IKBKETBK1LMNAPOLB
SCHEMBL20010692 0.71 ALDH1A1 (0.38) IKBKETBK1ALDH1A1POLBMAPT

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 IKBKE 2011/4885TBK1 4621/4885LMNA 3296/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 IKBKE 2011/4885TBK1 4603/4885LMNA 3477/4885

“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.