SCHEMBL10115952

SCHEMBL10115952

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 3/20 0.46
STS P08842 2/20 0.46
CA1 P00915 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
S1PR2 O95136 2/20 0.43
ALOX5 P09917 1/20 0.43
PANK3 Q9H999 5/20 0.42
TP53 P04637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
NAMPT P43490 1/20 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
SCHEMBL10115629 0.88 CA12 (0.48) CA12CA2CA9SMN1; SMN2KDM4E
SCHEMBL14424078 0.88 L3MBTL1 (0.46) SMN1; SMN2LMNAMAPTTRPV1TP53
SCHEMBL10114446 0.88 L3MBTL1 (0.46) SMN1; SMN2LMNAMAPTTRPV1TP53
SCHEMBL12882943 0.87 S1PR2 (0.42) S1PR2ALOX5
SCHEMBL10115971 0.87 CA12 (0.42) CA12CA2CA9SMN1; SMN2KDM4E
SCHEMBL10115988 0.87 CA12 (0.38) CA12CA2CA9SMN1; SMN2KDM4E
SCHEMBL10115865 0.86 ALOX5 (0.56) CA12CA2CA9SMN1; SMN2KDM4E
SCHEMBL10116017 0.83 NAMPT (0.49) CA12CA2CA9SMN1; SMN2LMNA
SCHEMBL13565097 0.82 OPRM1 (0.39)
SCHEMBL10115902 0.80 NAMPT (0.55) CA12CA2CA9SMN1; SMN2KDM4E

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.