SCHEMBL10115746

SCHEMBL10115746

CC1CC(C)c2cc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EPHX2 P34913 1/20 0.39
KMT2A Q03164 4/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL10115689 0.87 LMNA (0.47) LMNANPSR1KDM4ENPC1ALDH1A1
SCHEMBL10116095 0.85 LMNA (0.47) LMNANPSR1KDM4ENPC1ALDH1A1
SCHEMBL10115722 0.82 LMNA (0.45) LMNANPSR1KDM4ENPC1ALDH1A1
SCHEMBL10115710 0.81 LMNA (0.46) LMNANPSR1NPC1MAPTRAB9A
SCHEMBL10115573 0.81 CYP3A4 (0.57) LMNANPSR1NPC1MAPTHPGD
SCHEMBL12882021 0.81 LMNA (0.53) LMNANPSR1KDM4EALDH1A1CTDSP1
SCHEMBL10115617 0.81 LMNA (0.53) LMNANPSR1ALDH1A1MAPTCTDSP1
SCHEMBL10115527 0.81 LMNA (0.66) LMNANPSR1KDM4ENPC1MAPT
SCHEMBL10115594 0.81 MEN1 (0.59) LMNANPSR1KDM4ENPC1ALDH1A1
SCHEMBL10115586 0.81 NPC1 (0.58) LMNANPC1ALDH1A1CYP1A2MAPT

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 LMNA 1925/4885NPSR1 7/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 2068/4885NPSR1 8/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R LMNA 1857/4885NPSR1 7/4885KDM4E 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.