SCHEMBL10115604

SCHEMBL10115604

CC(=O)N1CCN(c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.56
MAPT P10636 5/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CA12 O43570 8/20 0.53
CA2 P00918 8/20 0.53
CA9 Q16790 8/20 0.53
CA1 P00915 6/20 0.53
TP53 P04637 2/20 0.52
MAPK1 P28482 2/20 0.52
USP2 O75604 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL10115664 0.88 LMNA (0.50) NAMPTMAPTKMT2ACA12CA2
SCHEMBL10115611 0.87 CA12 (0.48) MAPTCA12CA2CA9CA1
SCHEMBL10114363 0.86 MAPT (0.54) NAMPTMAPTMEN1KMT2ATP53
SCHEMBL10133388 0.86 MAPT (0.54) NAMPTMAPTMEN1KMT2ATP53
SCHEMBL10115902 0.86 NAMPT (0.55) NAMPTMAPTMEN1KMT2ACA12
SCHEMBL12882021 0.84 LMNA (0.53) MEN1KMT2ACA12CA2CA9
SCHEMBL10115527 0.84 LMNA (0.66) MAPTKMT2ALMNAPOLBKDM4E
SCHEMBL10115617 0.84 LMNA (0.53) MAPTMEN1KMT2ACA12CA2
SCHEMBL10133805 0.84 LMNA (0.47) NAMPTMAPTKMT2ACA12CA2
SCHEMBL10115590 0.84 LMNA (0.47) NAMPTMAPTKMT2ACA12CA2

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 NAMPT 2678/4885MAPT 3602/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885MAPT 3367/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2832/4885MAPT 3683/4885MEN1 2926/4885

“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.