SCHEMBL10114536

SCHEMBL10114536

Cc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.53
MAPT P10636 4/20 0.49
TP53 P04637 3/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
EPHX2 P34913 2/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL14424172 1.00 NPY5R (0.53) NPY5RMAPTTP53LMNAKDM4E
SCHEMBL14424168 0.91 NPY5R (0.55) NPY5RMAPTLMNANPC1RAB9A
SCHEMBL10114502 0.91 NPY5R (0.55) NPY5RMAPTLMNANPC1RAB9A
SCHEMBL10114362 0.86 NPY5R (0.51) NPY5RMAPTTP53LMNAKDM4E
SCHEMBL10133752 0.86 NPY5R (0.51) NPY5RMAPTTP53LMNAKDM4E
SCHEMBL10113061 0.84 NPY5R (0.58) NPY5RMAPTLMNATSHRSMN1; SMN2
SCHEMBL12864673 0.84 NPY5R (0.58) NPY5RMAPTLMNATSHRSMN1; SMN2
SCHEMBL14424174 0.84 NPY5R (0.57) NPY5RKMT2AEPHX2
SCHEMBL10114534 0.84 NPY5R (0.57) NPY5RKMT2AEPHX2
SCHEMBL14424129 0.84 MAPT (0.48) MAPTTP53LMNAKDM4ENPC1

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 9 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-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 NPY5R 1/4885MAPT 3602/4885TP53 4449/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885MAPT 3367/4885TP53 4417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885MAPT 3683/4885TP53 4486/4885

“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.