SCHEMBL13113647

SCHEMBL13113647

CNc1ccc(OC2CCOC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ IDO1 P14902 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ DDX3X O00571 1/20 0.38
▸ F2 P00734 3/20 0.38
▸ F10 P00742 3/20 0.38
▸ PRSS1 P07477 3/20 0.38
▸ PRSS2 P07478 3/20 0.38
▸ F7 P08709 3/20 0.38
▸ F3 P13726 3/20 0.38
▸ PRSS3 P35030 3/20 0.38
▸ GRM5 P41594 2/20 0.37
▸ LRRK2 Q5S007 2/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ SLC5A1 P13866 1/20 0.37
▸ SLC5A2 P31639 1/20 0.37

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
SCHEMBL13104997 0.90 KAT2B (0.44) ACACBLRRK2NAMPT
SCHEMBL13994031 0.83 ACACB (0.40) ACACBIRAK4EGFRDDX3XF2
SCHEMBL13996482 0.83 ACACB (0.40) ACACBIRAK4DDX3XF2F10
SCHEMBL7760091 0.81 LRRK2 (0.43) ACACBGRM5LRRK2
SCHEMBL21443397 0.81 LRRK2 (0.43) ACACBGRM5LRRK2
SCHEMBL13993826 0.81 LRRK2 (0.43) ACACBGRM5LRRK2
SCHEMBL28446956 0.80 ACACB (0.51) ACACBEGFRGRM5NAMPT
SCHEMBL28446957 0.80 ACACB (0.51) ACACBEGFRGRM5NAMPT
SCHEMBL17361821 0.80 CARM1 (0.40) ACACB
SCHEMBL2226844 0.79 AKT1 (0.40) ACACBIRAK4LRRK2SLC5A1SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 — — 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 (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-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ACACB 1989/4885IRAK4 3959/4885IDO1 326/4885

“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.

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