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SCHEMBL10115829

SCHEMBL10115829

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

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ PDE4A P27815 2/20 0.41
▸ RORC P51449 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CCR8 P51685 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
SCHEMBL10116163 0.87 PDE4A (0.43) PDE4BL3MBTL1PDE4ARORCPOLB
SCHEMBL10115749 0.83 FAAH (0.50) LMNANPSR1
SCHEMBL10115767 0.82 FAAH (0.52) LMNANPSR1
SCHEMBL10115808 0.82 HTT (0.49) LMNAPOLB
SCHEMBL10115768 0.81 NPC1 (0.50) LMNAPOLB
SCHEMBL10115836 0.81 EPHX2 (0.47) LMNANPSR1
SCHEMBL10115576 0.80 L3MBTL1 (0.61) L3MBTL1NPSR1ALDH1A1
SCHEMBL10115532 0.79 NPC1 (0.57) LMNAPOLBNPSR1ALDH1A1
SCHEMBL10134498 0.78 L3MBTL1 (0.44) L3MBTL1LMNAPOLBNPSR1ALDH1A1
SCHEMBL10115587 0.78 L3MBTL1 (0.49) L3MBTL1

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 PDE4B 2328/4885L3MBTL1 3267/4885PDE4A 2689/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PDE4B 2069/4885L3MBTL1 2541/4885PDE4A 2415/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PDE4B 2309/4885L3MBTL1 3389/4885PDE4A 2664/4885

“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.