SCHEMBL1588694

SCHEMBL1588694

CC(C)(C)OC(=O)C1CCC(Oc2ccc(N)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.46
DGAT1 O75907 8/20 0.44
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ACACB O00763 3/20 0.36
NAMPT P43490 1/20 0.35
ACACA Q13085 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL1588118 0.86 DGAT1 (0.43) DGAT1KDM4EACACBNAMPTACACA
SCHEMBL1588120 0.86 DGAT1 (0.43) DGAT1KDM4EACACBNAMPTACACA
SCHEMBL1588545 0.86 DGAT1 (0.43) DGAT1KDM4EACACBNAMPTACACA
SCHEMBL15152756 0.85 DGAT1 (0.47) GPR119DGAT1NAMPT
SCHEMBL5532726 0.85 DGAT1 (0.60) GPR119DGAT1ACACBNAMPTHRH3
SCHEMBL15152753 0.85 DGAT1 (0.47) GPR119DGAT1NAMPT
SCHEMBL13769570 0.85 DGAT1 (0.60) GPR119DGAT1ACACBNAMPTHRH3
SCHEMBL602562 0.84 MAPT (0.48) GPR119DGAT1
SCHEMBL602561 0.84 MAPT (0.48) GPR119DGAT1
SCHEMBL1589689 0.84 DGAT1 (0.48) DGAT1POLBACACB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092547-A1 CHEMICAL COMPOUNDS 979 ASTRAZENECA AB (SE) 2011-04-21 US disclosed
US-20110092547-A1 CHEMICAL COMPOUNDS 979 ASTRAZENECA AB (SE) 2011-04-21 US disclosed
US-20110092547-A1 CHEMICAL COMPOUNDS 979 ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2190840-A2 CHEMICAL COMPOUNDS 979 AstraZeneca AB (SE) 2010-06-02 EP disclosed
WO-2009024821-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2009024821-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 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 (1 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-20110092547-A1 CHEMICAL COMPOUNDS 979 DGAT1, DGAT2, ACAT2 GPR119 533/4885DGAT1 1/4885KDM4E 2729/4885

“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.