SCHEMBL10115548

SCHEMBL10115548

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccccc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 1/20 0.51
EPHX2 P34913 1/20 0.50
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 2/20 0.47
TRPV1 Q8NER1 1/20 0.45
CCR8 P51685 2/20 0.45
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
OPRM1 P35372 1/20 0.44
FAAH O00519 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
SCHEMBL10115556 0.87 MEN1 (0.60) KMT2AKDM4ETRPV1MEN1GAA
SCHEMBL10115709 0.87 ALDH1A1 (0.45) KMT2ARAB9ANPC1CCR8OPRM1
SCHEMBL10115708 0.86 OPRM1 (0.57) KMT2AKDM4ESMN1; SMN2MEN1L3MBTL1
SCHEMBL10115559 0.85 TAS1R3 (0.48) KMT2ARAB9AEPHX2NPC1CCR8
SCHEMBL10115870 0.84 RAB9A (0.54) KMT2ARAB9AKDM4EEPHX2TSHR
SCHEMBL10115579 0.83 ALDH1A1 (0.55) RAB9AKDM4ETSHRSMN1; SMN2NPC1
SCHEMBL10133211 0.81 TSHR (0.58) KMT2ARAB9AKDM4EEPHX2TSHR
SCHEMBL10114621 0.81 KMT2A (0.59) KMT2ARAB9ATSHRSMN1; SMN2NPC1
SCHEMBL10114312 0.81 TSHR (0.58) KMT2ARAB9AKDM4EEPHX2TSHR
SCHEMBL10115710 0.81 LMNA (0.46) KMT2ARAB9AEPHX2TSHRSMN1; SMN2

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 KMT2A 2912/4885RAB9A 3699/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885RAB9A 3651/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885RAB9A 3820/4885KDM4E 1653/4885

“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.