SCHEMBL10115059

SCHEMBL10115059

CC1CCc2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MTNR1A P48039 1/20 0.40
KCNA5 P22460 2/20 0.39
HDAC6 Q9UBN7 3/20 0.39
MEN1 O00255 2/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.37
HTR1D P28221 7/20 0.37
HTR1B P28222 7/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA9 Q16790 1/20 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
SCHEMBL10115314 0.86 ALDH1A1 (0.41) ALDH1A1LMNAMTNR1AKCNA5HDAC6
SCHEMBL10115159 0.84 ALDH1A1 (0.43) ALDH1A1LMNAHDAC6MEN1ALOX15
SCHEMBL11935611 0.84 CNR2 (0.41) MTNR1A
SCHEMBL10113627 0.82 MAPK1 (0.52) ALDH1A1LMNAMEN1ALOX15KMT2A
SCHEMBL10115204 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL10115158 0.81 ALDH1A1 (0.38) ALDH1A1LMNAHDAC6MEN1ALOX15
SCHEMBL12882347 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHDAC6MEN1ALOX15
SCHEMBL10115176 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHDAC6MEN1KMT2A
SCHEMBL10113550 0.77 BAZ2B (0.44) ALDH1A1LMNAHDAC6
SCHEMBL13370602 0.77 ALDH1A1 (0.48) ALDH1A1LMNAHDAC6MEN1KMT2A

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 ALDH1A1 4558/4885LMNA 1925/4885MTNR1A 191/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885MTNR1A 177/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885MTNR1A 205/4885

“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.