SCHEMBL10133702

SCHEMBL10133702

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc3ncccc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.53
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
PABPC1 P11940 4/20 0.48
EIF4H Q15056 4/20 0.48
ALDH1A1 P00352 3/20 0.47
P2RX7 Q99572 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
JAK1 P23458 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CLK1 P49759 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL13203793 1.00 NPY5R (0.53) NPY5RMEN1KMT2APABPC1EIF4H
SCHEMBL10114056 0.85 MEN1 (0.50) MEN1KMT2APABPC1EIF4HALDH1A1
SCHEMBL13203795 0.80 NPY5R (0.49) NPY5RMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL10133717 0.80 NPY5R (0.49) NPY5RMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL17090303 0.80 CRHR1 (0.55) MEN1KMT2APABPC1EIF4HALDH1A1
SCHEMBL13565406 0.80 CRHR1 (0.55) MEN1KMT2APABPC1EIF4HALDH1A1
SCHEMBL10114459 0.80 NPY5R (0.60) NPY5RALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL14424745 0.80 NPY5R (0.60) NPY5RALDH1A1SMN1; SMN2LMNAKDM4E
SCHEMBL13203842 0.79 NPY5R (0.48) NPY5RMEN1KMT2AALDH1A1LMNA
SCHEMBL14424746 0.79 MEN1 (0.51) NPY5RMEN1KMT2AALDH1A1SMN1; SMN2

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 7 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-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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 (2 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885MEN1 2932/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885MEN1 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.