SCHEMBL10116166

SCHEMBL10116166

CCc1cc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.48
SLC6A3 Q01959 1/20 0.47
GRIA2 P42262 1/20 0.42
WNT3 P56703 4/20 0.41
SFRP1 Q8N474 4/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL10116067 0.88 EPHX2 (0.48) EPHX2SLC6A3MAPT
SCHEMBL10115836 0.87 EPHX2 (0.47) EPHX2SLC6A3WNT3SFRP1MAPT
SCHEMBL13204752 0.87 TRPV1 (0.47) EPHX2SLC6A3
SCHEMBL10116091 0.86 SLC6A3 (0.51) EPHX2SLC6A3MAPT
SCHEMBL10116174 0.85 TRPV1 (0.47) EPHX2SLC6A3MAPT
SCHEMBL10114973 0.84 KMT2A (0.45) EPHX2GRIA2MAPT
SCHEMBL10114622 0.82 EPHX2 (0.57) EPHX2MAPT
SCHEMBL10115855 0.81 NPC1 (0.57) EPHX2MAPT
SCHEMBL10116041 0.81 EPHX2 (0.57) EPHX2MAPT
SCHEMBL10116051 0.80 CACNA1H (0.50) EPHX2MAPT

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 EPHX2 2158/4885SLC6A3 836/4885GRIA2 347/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2527/4885SLC6A3 791/4885GRIA2 334/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2306/4885SLC6A3 872/4885GRIA2 358/4885

“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.