SCHEMBL10116017

SCHEMBL10116017

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3CC=CC3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.49
PANK3 Q9H999 3/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 7/20 0.44
CA2 P00918 7/20 0.44
CA9 Q16790 7/20 0.44
CA1 P00915 6/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HPGDS O60760 1/20 0.43
PTPN7 P35236 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL10115902 0.88 NAMPT (0.55) NAMPTPANK3ALDH1A1TP53MAPT
SCHEMBL10115916 0.88 PANK3 (0.48) NAMPTPANK3ALDH1A1TP53MAPT
SCHEMBL10115895 0.87 KDM4E (0.46) NAMPTPANK3ALDH1A1TP53MAPT
SCHEMBL10115887 0.87 KDM4E (0.46) NAMPTPANK3ALDH1A1TP53MAPT
SCHEMBL10134516 0.87 KDM4E (0.46) NAMPTPANK3ALDH1A1TP53MAPT
SCHEMBL10134515 0.87 KDM4E (0.46) NAMPTPANK3ALDH1A1TP53MAPT
SCHEMBL10115849 0.87 ALDH1A1 (0.55) ALDH1A1TP53SMN1; SMN2LMNAPOLB
SCHEMBL10115911 0.86 MAPT (0.48) NAMPTPANK3ALDH1A1TP53MAPT
SCHEMBL10115860 0.86 MAPT (0.48) NAMPTPANK3ALDH1A1TP53MAPT
SCHEMBL12882838 0.86 TSHR (0.48) ALDH1A1LMNANPSR1POLBALOX15

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 2678/4885PANK3 4424/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885PANK3 4296/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2832/4885PANK3 4362/4885ALDH1A1 4517/4885

“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.