SCHEMBL10133832

SCHEMBL10133832

Cc1cc(N2CC(C)OC(C)C2)cc(C)c1NC(=O)N1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
CCR8 P51685 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 1/20 0.33
PAK1 Q13153 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 3/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10116028 1.00 GSK3B (0.34) GSK3BDYRK1ACCR8HRH3POLB
SCHEMBL10115893 0.89 HRH3 (0.46) CCR8HRH3HTTMAPT
SCHEMBL10115609 0.84 LMNA (0.37) CCR8POLBUSP2LMNAATM
SCHEMBL10115911 0.84 MAPT (0.48) HRH3LMNAATMNPSR1L3MBTL1
SCHEMBL10115860 0.84 MAPT (0.48) HRH3LMNAATMNPSR1L3MBTL1
SCHEMBL10134509 0.83 HTT (0.36) GSK3BDYRK1ACCR8HRH3L3MBTL1
SCHEMBL10115956 0.83 HTT (0.36) GSK3BDYRK1ACCR8HRH3L3MBTL1
SCHEMBL10133502 0.83 LMNA (0.47) POLBUSP2LMNAATMNPSR1
SCHEMBL10115851 0.83 LMNA (0.47) POLBUSP2LMNAATMNPSR1
SCHEMBL10115872 0.82 HRH3 (0.45) HRH3LMNAATMNPSR1L3MBTL1

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 4 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-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

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 GSK3B 2333/4885DYRK1A 584/4885CCR8 394/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GSK3B 2284/4885DYRK1A 549/4885CCR8 484/4885

“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.