SCHEMBL3542983

SCHEMBL3542983

Nc1ccc(C2CCC3(CC2)OCCO3)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
CYP3A4 P08684 3/20 0.36
LGMN Q99538 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.33
SLC6A4 P31645 6/20 0.33
SLC6A3 Q01959 6/20 0.33
SLC6A2 P23975 4/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 2/20 0.32
KCNH2 Q12809 2/20 0.32
ESR2 Q92731 1/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL23484639 0.86 SLC6A4 (0.44) IKBKETBK1ATMSLC6A4SLC6A3
SCHEMBL1506454 0.82 SLC6A2 (0.47) IKBKETBK1TSHRALDH1A1ATM
SCHEMBL854929 0.80 CYP3A4 (0.48) CYP3A4TSHRALDH1A1MAPK1SLC6A4
SCHEMBL31342020 0.79 NPC1 (0.36) IKBKETBK1ATMSLC6A4SLC6A3
SCHEMBL30866517 0.78 ALDH1A1 (0.38) IKBKETBK1ALDH1A1POLBNPC1
SCHEMBL20010692 0.78 ALDH1A1 (0.38) IKBKETBK1ALDH1A1POLBNPC1
SCHEMBL14403053 0.78 ESR2 (0.42) IKBKETBK1SLC6A4SLC6A3POLB
SCHEMBL13832594 0.77 POLB (0.44) ALDH1A1ATMSLC6A3SLC6A2POLB
SCHEMBL1399819 0.77 IKBKE (0.40) IKBKETBK1LGMNALDH1A1ESR2
SCHEMBL3789570 0.77 SLC6A2 (0.46) CYP3A4TSHRALDH1A1MAPK1SLC6A4

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 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

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 4621/4885CYP3A4 551/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 IKBKE 2011/4885TBK1 4603/4885CYP3A4 544/4885

“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.