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SCHEMBL10114879

SCHEMBL10114879

CCC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.58
▸ EPHX2 P34913 6/20 0.50
▸ ENPP3 O14638 4/20 0.49
▸ ENPP1 P22413 3/20 0.49
▸ ENPP2 Q13822 3/20 0.49
▸ MAPT P10636 2/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ELOVL6 Q9H5J4 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NAMPT P43490 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
SCHEMBL14424375 1.00 NPY5R (0.58) NPY5REPHX2ENPP3ENPP1ENPP2
SCHEMBL13203872 0.89 NPY5R (0.72) NPY5REPHX2ENPP3ENPP1ENPP2
SCHEMBL10113370 0.89 NPY5R (0.72) NPY5REPHX2ENPP3ENPP1ENPP2
SCHEMBL10114528 0.83 NPY5R (0.56) NPY5REPHX2ENPP3ENPP1ENPP2
SCHEMBL14424169 0.83 NPY5R (0.56) NPY5REPHX2ENPP3ENPP1ENPP2
SCHEMBL13840459 0.83 NPY5R (0.53) NPY5REPHX2ENPP3ENPP1ENPP2
SCHEMBL10114255 0.82 EPHX2 (0.52) NPY5REPHX2MAPTTP53KDM4E
SCHEMBL14627728 0.81 NPSR1 (0.50) NPY5REPHX2ENPP3ENPP1ENPP2
SCHEMBL10114859 0.81 NPSR1 (0.50) NPY5REPHX2ENPP3ENPP1ENPP2
SCHEMBL10114143 0.81 NPY5R (0.53) NPY5REPHX2ENPP3ENPP1ENPP2

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 1/4885EPHX2 2158/4885ENPP3 3334/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885EPHX2 2527/4885ENPP3 3225/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885EPHX2 2306/4885ENPP3 3416/4885

“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.