SCHEMBL10115745

SCHEMBL10115745

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.47
EPHX2 P34913 10/20 0.46
AR P10275 1/20 0.45
CXCR3 P49682 1/20 0.45
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL13204648 0.92 EPHX2 (0.56) SLC6A3EPHX2LMNANPSR1
SCHEMBL10115710 0.89 LMNA (0.46) EPHX2MAPTLMNANPSR1KMT2A
SCHEMBL10115716 0.88 LMNA (0.46) SLC6A3EPHX2MAPTLMNANPSR1
SCHEMBL10134494 0.87 LMNA (0.45) EPHX2MAPTLMNANPSR1KMT2A
SCHEMBL10115842 0.87 LMNA (0.47) MAPTLMNANPSR1KMT2A
SCHEMBL10116091 0.87 SLC6A3 (0.51) SLC6A3EPHX2ARCXCR3MAPT
SCHEMBL10115836 0.86 EPHX2 (0.47) SLC6A3EPHX2MAPTLMNANPSR1
SCHEMBL10115739 0.85 LMNA (0.56) MAPTLMNANPSR1KMT2A
SCHEMBL10115653 0.85 MAPT (0.48) EPHX2MAPTKMT2A
SCHEMBL10115840 0.85 EPHX2 (0.50) EPHX2

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 SLC6A3 836/4885EPHX2 2158/4885AR 330/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SLC6A3 791/4885EPHX2 2527/4885AR 237/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SLC6A3 872/4885EPHX2 2306/4885AR 303/4885

“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.