SCHEMBL10114871

SCHEMBL10114871

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(N3CC=CC3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.44
ME3 Q16798 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
MCHR1 Q99705 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GRIA2 P42262 1/20 0.42
ROCK2 O75116 2/20 0.42
RPS6KA5 O75582 2/20 0.42
ROCK1 Q13464 2/20 0.42
PKN2 Q16513 2/20 0.42
LRRK2 Q5S007 2/20 0.42
CHUK O15111 1/20 0.42
PRKD3 O94806 1/20 0.42
CDK1 P06493 1/20 0.42

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
SCHEMBL14424269 1.00 NAMPT (0.45) NAMPTMEN1KMT2AALDH1A1ME3
SCHEMBL10113936 0.94 MEN1 (0.43) NAMPTMEN1KMT2AALDH1A1ME3
SCHEMBL10113937 0.90 ME3 (0.53) NAMPTMEN1KMT2AALDH1A1ME3
SCHEMBL10113930 0.90 EPHX2 (0.53) MEN1KMT2AALDH1A1ME3NPSR1
SCHEMBL10113922 0.89 EPHX2 (0.54) MEN1KMT2AALDH1A1ME3NPSR1
SCHEMBL10113916 0.88 ALDH1A1 (0.62) ALDH1A1MAPTGAASMN1; SMN2EPHX2
SCHEMBL10113933 0.88 ALDH1A1 (0.47) MEN1KMT2AALDH1A1ME3NPSR1
SCHEMBL10113963 0.87 MEN1 (0.44) NAMPTMEN1KMT2AALDH1A1NPSR1
SCHEMBL14424182 0.87 MEN1 (0.47) NAMPTMEN1KMT2AALDH1A1ME3
SCHEMBL10114773 0.87 MEN1 (0.47) NAMPTMEN1KMT2AALDH1A1ME3

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 9 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-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 NAMPT 2678/4885MEN1 2876/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885MEN1 2932/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2832/4885MEN1 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.