SCHEMBL10115786

SCHEMBL10115786

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(NC(=O)C3CCCCC3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
LMNA P02545 2/20 0.52
CYP3A4 P08684 1/20 0.52
CNR2 P34972 2/20 0.51
PTPN1 P18031 2/20 0.51
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ENPP3 O14638 1/20 0.48
ENPP1 P22413 1/20 0.48
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL10115790 0.92 MEN1 (0.58) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL10114575 0.87 LMNA (0.60) KMT2AMEN1LMNAPTPN1NPSR1
SCHEMBL14424621 0.87 LMNA (0.60) KMT2AMEN1LMNAPTPN1NPSR1
SCHEMBL10114661 0.87 NAMPT (0.49) MAPTLMNACYP3A4CNR2NPSR1
SCHEMBL10115752 0.86 LMNA (0.54) KMT2AMEN1MAPTLMNACYP3A4
SCHEMBL10115617 0.85 LMNA (0.53) KMT2AMEN1MAPTLMNACNR2
SCHEMBL12882021 0.85 LMNA (0.53) KMT2AMEN1KDM4ELMNACNR2
SCHEMBL10115527 0.85 LMNA (0.66) KMT2AKDM4EMAPTLMNANPSR1
SCHEMBL10116131 0.84 KMT2A (0.55) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL10115754 0.84 KMT2A (0.60) KMT2AMEN1KDM4EMAPTLMNA

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 KMT2A 2912/4885MEN1 2876/4885KDM4E 1668/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885MEN1 2932/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885MEN1 2926/4885KDM4E 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.