SCHEMBL10114281

SCHEMBL10114281

CCC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCCc2c[nH]c3ccc(OC)cc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.75
MTNR1B P49286 4/20 0.75
ALDH1A1 P00352 2/20 0.75
BCHE P06276 2/20 0.59
ACHE P22303 2/20 0.59
KDM4E B2RXH2 3/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A1 P04798 1/20 0.56
MPO P05164 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
HTR1A P08908 1/20 0.56
CYP2D6 P10635 1/20 0.56
HPGD P15428 1/20 0.56
NQO2 P16083 1/20 0.56
HTR2B P41595 1/20 0.56
RAB9A P51151 1/20 0.56
BLM P54132 1/20 0.56

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
SCHEMBL13565027 0.87 MTNR1A (0.55) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL4759323 0.86 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1BCHEACHE
SCHEMBL9192809 0.82 MTNR1A (0.92) MTNR1AMTNR1BALDH1A1BCHEACHE
SCHEMBL10113302 0.77 MTNR1A (0.68) MTNR1AMTNR1BALDH1A1BCHEACHE
SCHEMBL13203825 0.77 MTNR1A (0.68) MTNR1AMTNR1BALDH1A1BCHEACHE
SCHEMBL9295982 0.77 MTNR1A (0.79) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL12720722 0.76 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1BCHEACHE
SCHEMBL5612765 0.75 MTNR1A (0.80) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL6930033 0.74 MTNR1A (0.81) MTNR1AMTNR1BALDH1A1KDM4EMAPT
Melatonin SCHEMBL7171959 0.73 MTNR1A (0.91) MTNR1AMTNR1BALDH1A1KDM4EMAPT

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 MTNR1A 191/4885MTNR1B 268/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MTNR1A 177/4885MTNR1B 270/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MTNR1A 205/4885MTNR1B 273/4885ALDH1A1 4517/4885

“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.