SCHEMBL10115874

SCHEMBL10115874

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
RBP4 P02753 5/20 0.52
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
HTT P42858 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
SMO Q99835 1/20 0.47
MAPT P10636 1/20 0.46
POLB P06746 3/20 0.46
TRPV1 Q8NER1 2/20 0.45

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
SCHEMBL10115556 0.87 MEN1 (0.60) MEN1KMT2ARBP4LMNAMAPK1
SCHEMBL10115870 0.85 RAB9A (0.54) MEN1KMT2AKDM4EGAATRPV1
SCHEMBL10116039 0.85 RBP4 (0.41) MEN1KMT2ARBP4CYP2D6CYP2C19
SCHEMBL10114716 0.82 MAPT (0.55) MEN1KMT2AMAPK1MAPTPOLB
SCHEMBL10116019 0.81 EPHX2 (0.46) MAPK1TRPV1
SCHEMBL10115849 0.80 ALDH1A1 (0.55) KMT2ALMNACYP2C19KDM4EPOLB
SCHEMBL10116091 0.80 SLC6A3 (0.51) MAPT
SCHEMBL10116067 0.80 EPHX2 (0.48) KMT2ALMNAHTTMAPTTRPV1
SCHEMBL10114622 0.80 EPHX2 (0.57) MAPTTRPV1
SCHEMBL23573573 0.79 MEN1 (0.66) MEN1KMT2ARBP4LMNAMAPK1

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 MEN1 2876/4885KMT2A 2912/4885RBP4 3941/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2932/4885KMT2A 2768/4885RBP4 4066/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MEN1 2926/4885KMT2A 2953/4885RBP4 3915/4885

“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.