SCHEMBL10116115

SCHEMBL10116115

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.58
NPY5R Q15761 1/20 0.55
TRPV1 Q8NER1 10/20 0.53
CCR6 P51684 2/20 0.47
PANK3 Q9H999 1/20 0.46
GCK P35557 1/20 0.45
CCNK O75909 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL10114634 0.88 NPY5R (0.72) EPHX2NPY5RTRPV1CCR6PANK3
SCHEMBL13840454 0.87 NPY5R (0.54) EPHX2NPY5RTRPV1CCR6CCNK
SCHEMBL14424799 0.85 NPY5R (0.75) EPHX2NPY5RCCR6GCKPTGS1
SCHEMBL10114602 0.85 NPY5R (0.75) EPHX2NPY5RCCR6GCKPTGS1
SCHEMBL10114622 0.85 EPHX2 (0.57) EPHX2TRPV1CNR1CNR2
SCHEMBL10116019 0.81 EPHX2 (0.46) EPHX2TRPV1
SCHEMBL10116041 0.79 EPHX2 (0.57) EPHX2TRPV1
SCHEMBL10116064 0.78 TEAD1 (0.49) EPHX2
SCHEMBL10116168 0.78 EPHX2 (0.37) EPHX2TRPV1
SCHEMBL10115869 0.77 CNR2 (0.54) EPHX2TRPV1CNR1CNR2

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-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 EPHX2 2158/4885NPY5R 1/4885TRPV1 774/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2527/4885NPY5R 1/4885TRPV1 534/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2306/4885NPY5R 1/4885TRPV1 795/4885

“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.