SCHEMBL10115629

SCHEMBL10115629

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
CA1 P00915 2/20 0.46
STS P08842 2/20 0.46
S1PR2 O95136 3/20 0.46
TRPV1 Q8NER1 1/20 0.44
ALOX5 P09917 1/20 0.43
CHRM4 P08173 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL10115952 0.88 CA12 (0.48) CA12CA2CA9LMNAKDM4E
SCHEMBL10116248 0.87 L3MBTL1 (0.47) LMNAMAPT
SCHEMBL10114422 0.87 L3MBTL1 (0.47) LMNAMAPT
SCHEMBL12882371 0.87 CA12 (0.43) CA12CA2CA9LMNAKDM4E
SCHEMBL12882362 0.87 S1PR2 (0.45) LMNAS1PR2ALOX5CHRM4NPSR1
SCHEMBL12882934 0.87 CCR1 (0.40) CA12CA2CA9LMNAKDM4E
SCHEMBL10115550 0.86 ALOX5 (0.56) CA12CA2CA9LMNAKDM4E
SCHEMBL10115664 0.82 LMNA (0.50) CA12CA2CA9LMNAMAPT
SCHEMBL13565148 0.82 DRD2 (0.40) MAPTCHRM4
SCHEMBL17090198 0.82 DRD2 (0.40) MAPTCHRM4

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 CA12 1882/4885CA2 1224/4885CA9 1488/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CA12 1954/4885CA2 1119/4885CA9 1495/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CA12 2123/4885CA2 1320/4885CA9 1681/4885

“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.