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SCHEMBL10114552

SCHEMBL10114552

CC(C)N(C(=O)c1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.51
▸ NAMPT P43490 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ GLA P06280 1/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL14424348 1.00 NPY5R (0.51) NPY5RNAMPTNPSR1RAB9ALMNA
SCHEMBL10114548 0.87 GAA (0.51) NPY5RNPSR1RAB9ALMNAGLA
SCHEMBL14424343 0.87 GAA (0.51) NPY5RNPSR1RAB9ALMNAGLA
SCHEMBL10114915 0.86 NAMPT (0.46) NAMPTNPSR1RAB9ALMNAKMT2A
SCHEMBL14424380 0.86 NAMPT (0.46) NAMPTNPSR1RAB9ALMNAKMT2A
SCHEMBL13203753 0.86 L3MBTL1 (0.56) NPY5RNAMPTRAB9ALMNAGLA
SCHEMBL10113200 0.86 L3MBTL1 (0.56) NPY5RNAMPTRAB9ALMNAGLA
SCHEMBL14627725 0.85 NPY5R (0.53) NPY5RNAMPTNPSR1RAB9ALMNA
SCHEMBL12882794 0.85 NPY5R (0.53) NPY5RNAMPTNPSR1RAB9ALMNA
SCHEMBL10114299 0.85 KMT2A (0.58) NPY5RNAMPTNPSR1RAB9ALMNA

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 9 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-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 NPY5R 1/4885NAMPT 2678/4885NPSR1 7/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885NAMPT 2350/4885NPSR1 8/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885NAMPT 2832/4885NPSR1 7/4885

“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.