SCHEMBL10116163

SCHEMBL10116163

CCc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1OC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.39
NAMPT P43490 1/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL10115829 0.87 PDE4B (0.42) PDE4APDE4BL3MBTL1POLBRORC
SCHEMBL10114970 0.85 POLB (0.55) PDE4APOLBRORC
SCHEMBL10116097 0.83 NAMPT (0.51) NAMPT
SCHEMBL10116113 0.82 FAAH (0.52) NAMPT
SCHEMBL10116147 0.82 HTT (0.49) POLB
SCHEMBL10116111 0.81 NPC1 (0.50) POLB
SCHEMBL10115896 0.80 L3MBTL1 (0.61) L3MBTL1NAMPT
SCHEMBL10116166 0.80 EPHX2 (0.48)
SCHEMBL14424276 0.79 PDE4A (0.39) PDE4APDE4BPOLBRORC
SCHEMBL13564914 0.79 PDE4A (0.41) PDE4APDE4BPOLBRORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R PDE4A 2689/4885PDE4B 2328/4885L3MBTL1 3267/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PDE4A 2415/4885PDE4B 2069/4885L3MBTL1 2541/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PDE4A 2664/4885PDE4B 2309/4885L3MBTL1 3389/4885

“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.