SCHEMBL10113873

SCHEMBL10113873

CCCCOc1cccc(CONC(=O)CCCCNS(=O)(=O)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.46
CNR2 P34972 4/20 0.44
CNR1 P21554 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
EPHX2 P34913 2/20 0.41

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
SCHEMBL10113603 0.86 CYP2D6 (0.45) CYP2D6CNR2CNR1MEN1LMNA
SCHEMBL10113868 0.86 EPHX2 (0.57) CYP2D6CNR2LMNAEPHX2
SCHEMBL13565635 0.85 CYP2D6 (0.44) CYP2D6KMT2AKCNH2POLBKDM4E
SCHEMBL10113825 0.82 THRB (0.53) CYP2D6MEN1LMNAKMT2APOLB
SCHEMBL13105492 0.79 CHRM2 (0.50) CYP2D6CNR2CNR1KMT2AKCNH2
SCHEMBL10113836 0.78 CNR2 (0.47) CNR2CNR1MEN1LMNAKMT2A
SCHEMBL10113844 0.77 HDAC3 (0.48) CNR2CNR1MEN1LMNAKMT2A
SCHEMBL10113876 0.77 GAA (0.45) CNR2CNR1MEN1LMNAKMT2A
SCHEMBL10113763 0.76 L3MBTL1 (0.58) CYP2D6CNR1MEN1LMNAKMT2A
SCHEMBL10114105 0.75 CNR2 (0.44) CYP2D6CNR2CNR1LMNAKCNH2

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 CYP2D6 1239/4885CNR2 29/4885CNR1 13/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CYP2D6 1435/4885CNR2 30/4885CNR1 15/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CYP2D6 1164/4885CNR2 29/4885CNR1 13/4885

“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.