SCHEMBL10115784

SCHEMBL10115784

CCC(C)NC(=O)c1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 13/20 0.56
HTT P42858 1/20 0.49
KMT2A Q03164 2/20 0.47
LMNA P02545 2/20 0.44
EPHX2 P34913 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL10115713 0.90 KMT2A (0.50) NAMPTKMT2ALMNANPSR1
SCHEMBL10116129 0.88 NAMPT (0.58) NAMPTHTTKMT2ALMNA
SCHEMBL14424617 0.84 HTT (0.53) NAMPTHTTKMT2ANPSR1
SCHEMBL10114628 0.84 HTT (0.53) NAMPTHTTKMT2ANPSR1
SCHEMBL10115549 0.84 MEN1 (0.58) KMT2ALMNAEPHX2NPSR1
SCHEMBL10115789 0.83 KMT2A (0.52) NAMPTKMT2ALMNANPSR1
SCHEMBL10115759 0.83 LMNA (0.47) NAMPTKMT2ALMNAEPHX2NPSR1
SCHEMBL10115539 0.81 NPC1 (0.55) HTTKMT2ALMNAEPHX2NPSR1
SCHEMBL10115532 0.81 NPC1 (0.57) KMT2ALMNAEPHX2NPSR1
SCHEMBL10115581 0.81 CNR2 (0.56) LMNAEPHX2NPSR1

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 7 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-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-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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R NAMPT 2678/4885HTT 2081/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885HTT 1904/4885KMT2A 2768/4885

“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.