SCHEMBL10133388

SCHEMBL10133388

CC(=O)N1CCN(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPK1 P28482 2/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NPY5R Q15761 1/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
NAMPT P43490 2/20 0.47
EPHX2 P34913 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL10114363 1.00 MAPT (0.54) MAPTMEN1KMT2AMAPK1USP2
SCHEMBL10113074 0.89 ME3 (0.54) MAPTMEN1KMT2ANPY5RALDH1A1
SCHEMBL12864683 0.89 NPY5R (0.50) MAPTMEN1KMT2ANPY5RNPC1
SCHEMBL10113079 0.89 NPY5R (0.50) MAPTMEN1KMT2ANPY5RNPC1
SCHEMBL12864679 0.89 ME3 (0.54) MAPTMEN1KMT2ANPY5RALDH1A1
SCHEMBL12864675 0.89 EPHX2 (0.56) MAPTMEN1KMT2ANPY5RALDH1A1
SCHEMBL10113070 0.89 EPHX2 (0.56) MAPTMEN1KMT2ANPY5RALDH1A1
SCHEMBL10113066 0.88 EPHX2 (0.58) MAPTMEN1KMT2ATP53NPY5R
SCHEMBL13203699 0.88 EPHX2 (0.58) MAPTMEN1KMT2ATP53NPY5R
SCHEMBL13203694 0.87 ALDH1A1 (0.63) MAPTNPY5RRAB9AALDH1A1EPHX2

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 7 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-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-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-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 MAPT 3602/4885MEN1 2876/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885MEN1 2932/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885MEN1 2926/4885KMT2A 2953/4885

“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.