SCHEMBL10115902

SCHEMBL10115902

CC(=O)N1CCN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.55
MAPT P10636 5/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PANK3 Q9H999 4/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
THRB P10828 1/20 0.53
MAPK1 P28482 1/20 0.53
HRH3 Q9Y5N1 1/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CA12 O43570 5/20 0.47
CA2 P00918 5/20 0.47
CA9 Q16790 5/20 0.47
CA1 P00915 4/20 0.47

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
SCHEMBL10116017 0.88 NAMPT (0.49) NAMPTMAPTPANK3ALDH1A1SMN1; SMN2
SCHEMBL10115916 0.87 PANK3 (0.48) NAMPTMAPTPANK3ALDH1A1SMN1; SMN2
SCHEMBL10114756 0.86 MAPT (0.53) NAMPTMAPTMEN1KMT2AALDH1A1
SCHEMBL13204319 0.86 MAPT (0.53) NAMPTMAPTMEN1KMT2AALDH1A1
SCHEMBL10115604 0.86 NAMPT (0.56) NAMPTMAPTMEN1KMT2APANK3
SCHEMBL10115895 0.84 KDM4E (0.46) NAMPTMAPTPANK3ALDH1A1SMN1; SMN2
SCHEMBL10134516 0.84 KDM4E (0.46) NAMPTMAPTPANK3ALDH1A1SMN1; SMN2
SCHEMBL10115887 0.84 KDM4E (0.46) NAMPTMAPTPANK3ALDH1A1SMN1; SMN2
SCHEMBL10134515 0.84 KDM4E (0.46) NAMPTMAPTPANK3ALDH1A1SMN1; SMN2
SCHEMBL10115911 0.83 MAPT (0.48) NAMPTMAPTKMT2APANK3ALDH1A1

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 NAMPT 2678/4885MAPT 3602/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885MAPT 3367/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2832/4885MAPT 3683/4885MEN1 2926/4885

“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.