SCHEMBL10115939

SCHEMBL10115939

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(C(C)(O)c3ccccc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CCR8 P51685 1/20 0.45
NAMPT P43490 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.43
FAAH O00519 1/20 0.43
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
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
SCHEMBL10115948 0.89 LMNA (0.49) LMNANPSR1CCR8NAMPTTRPV1
SCHEMBL10115869 0.88 CNR2 (0.54) LMNANPSR1TRPV1KMT2ACNR2
SCHEMBL10115849 0.88 ALDH1A1 (0.55) LMNACCR8ALDH1A1KMT2APOLB
SCHEMBL10115619 0.87 LMNA (0.47) LMNANPSR1CCR8NAMPTTRPV1
SCHEMBL10116010 0.86 ALDH1A1 (0.48) LMNANPSR1CCR8NAMPTTRPV1
SCHEMBL10114622 0.85 EPHX2 (0.57) TRPV1CNR2CNR1EPHX2
SCHEMBL10115925 0.84 NPY5R (0.48) NPSR1CCR8NAMPTALDH1A1KMT2A
SCHEMBL14424178 0.83 GLA (0.48) LMNANPSR1NAMPTALDH1A1KMT2A
SCHEMBL10114750 0.83 GLA (0.48) LMNANPSR1NAMPTALDH1A1KMT2A
SCHEMBL12882838 0.82 TSHR (0.48) LMNANPSR1ALDH1A1KMT2APOLB

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 LMNA 1925/4885NPSR1 7/4885CCR8 429/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885NPSR1 8/4885CCR8 394/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885NPSR1 7/4885CCR8 484/4885

“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.