SCHEMBL10113735

SCHEMBL10113735

CC(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC(N)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
MCHR1 Q99705 2/20 0.45
KDM4E B2RXH2 1/20 0.44
HTR1A P08908 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MCL1 Q07820 1/20 0.41
MAPK1 P28482 1/20 0.41
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 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
SCHEMBL10113756 0.89 MCHR1 (0.46) MCHR1KDM4EHTR1AMAPTALDH1A1
SCHEMBL10113464 0.86 NAMPT (0.46) NAMPTMCHR1KDM4EMAPTALDH1A1
SCHEMBL11935067 0.85 GRIA1 (0.41) NAMPTHTR1A
SCHEMBL10113690 0.84 GAA (0.59) KDM4EHTR1AMAPTALDH1A1LMNA
SCHEMBL10113674 0.83 SMN1; SMN2 (0.59) KDM4EHTR1AMAPTALDH1A1LMNA
SCHEMBL10115361 0.83 KDM4E (0.48) KDM4EHTR1AMAPTALDH1A1LMNA
SCHEMBL10115235 0.83 KDM4E (0.44) KDM4EHTR1AMAPTALDH1A1LMNA
SCHEMBL10115298 0.83 KDM4E (0.44) KDM4EHTR1AMAPTALDH1A1LMNA
SCHEMBL10134142 0.83 KDM4E (0.44) KDM4EHTR1AMAPTALDH1A1LMNA
SCHEMBL12882354 0.83 KDM4E (0.44) KDM4EHTR1AMAPTALDH1A1LMNA

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 12 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
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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 NAMPT 2678/4885MCHR1 55/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885MCHR1 48/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2832/4885MCHR1 56/4885KDM4E 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.