SCHEMBL10116129

SCHEMBL10116129

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

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 15/20 0.58
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL10116061 0.89 KMT2A (0.52) NAMPTKMT2ALMNA
SCHEMBL10115784 0.88 NAMPT (0.56) NAMPTHTTKMT2ALMNA
SCHEMBL10114986 0.83 HTT (0.55) NAMPTHTTKMT2ALMNA
SCHEMBL10116128 0.83 KMT2A (0.50) NAMPTKMT2ALMNA
SCHEMBL13204427 0.83 HTT (0.55) NAMPTHTTKMT2ALMNA
SCHEMBL10115861 0.83 KMT2A (0.61) HTTKMT2ALMNA
SCHEMBL10115855 0.83 NPC1 (0.57) KMT2ALMNA
SCHEMBL10116094 0.82 KMT2A (0.60) NAMPTKMT2ALMNA
SCHEMBL10116110 0.82 KMT2A (0.47) NAMPTKMT2ALMNA
SCHEMBL12882838 0.81 TSHR (0.48) KMT2ALMNA

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.