SCHEMBL10115971

SCHEMBL10115971

CC1CN(C(=O)Nc2ccc(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)CCC1NS(=O)(=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.41
CA1 P00915 1/20 0.41
STS P08842 1/20 0.41
TP53 P04637 2/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
S1PR2 O95136 1/20 0.39
NAMPT P43490 2/20 0.38
ALOX5 P09917 1/20 0.38
PANK3 Q9H999 2/20 0.37

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
SCHEMBL12882371 0.89 CA12 (0.43) CA12CA2CA9LMNASMN1; SMN2
SCHEMBL10115952 0.87 CA12 (0.48) CA12CA2CA9LMNASMN1; SMN2
SCHEMBL10115988 0.80 CA12 (0.38) CA12CA2CA9LMNASMN1; SMN2
SCHEMBL10115959 0.80 MAPT (0.46) LMNASMN1; SMN2MAPTTP53NPC1
SCHEMBL10134510 0.80 MAPT (0.46) LMNASMN1; SMN2MAPTTP53NPC1
SCHEMBL14424078 0.79 L3MBTL1 (0.46) LMNASMN1; SMN2MAPTTP53TRPV1
SCHEMBL10114446 0.79 L3MBTL1 (0.46) LMNASMN1; SMN2MAPTTP53TRPV1
SCHEMBL10115629 0.78 CA12 (0.48) CA12CA2CA9LMNASMN1; SMN2
SCHEMBL12882943 0.75 S1PR2 (0.42) S1PR2ALOX5JAK1
SCHEMBL13204917 0.75 ALDH1A1 (0.47) LMNASMN1; SMN2KDM4EMAPTNPC1

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.