SCHEMBL10115577

SCHEMBL10115577

CC(C)(C)S(=O)(=O)NC1CCN(C(=O)Nc2cccc(N3CCOCC3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 2/20 0.49
HTT P42858 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HCRTR1 O43613 1/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 2/20 0.47
CASP3 P42574 1/20 0.47
CASP7 P55210 1/20 0.47
DGAT1 O75907 1/20 0.45
TP53BP1 Q12888 1/20 0.44
SETD2 Q9BYW2 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
SCHEMBL10115853 0.87 NPC1 (0.48) MAPTKMT2ACYP2C9CYP2C19MEN1
SCHEMBL10134483 0.86 LMNA (0.48) MAPTKMT2ACYP2C9CYP2C19MEN1
SCHEMBL10115518 0.86 LMNA (0.48) MAPTKMT2ACYP2C9CYP2C19MEN1
SCHEMBL10113333 0.86 TP53BP1 (0.50) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL10114285 0.86 TP53BP1 (0.50) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL10115594 0.82 MEN1 (0.59) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10115586 0.82 NPC1 (0.58) MAPTKMT2ACYP2C9CYP2C19MEN1
SCHEMBL10115579 0.81 ALDH1A1 (0.55) CYP2C9CYP2C19NPC1RAB9ALMNA
SCHEMBL10115822 0.81 TP53 (0.48) MAPTKMT2ACYP2C9CYP2C19MEN1
SCHEMBL10115691 0.81 EPHX2 (0.58) MAPTKMT2AMEN1HTTLMNA

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 MAPT 3602/4885KMT2A 2912/4885CYP2C9 1324/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3367/4885KMT2A 2768/4885CYP2C9 1654/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885KMT2A 2953/4885CYP2C9 1344/4885

“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.