SCHEMBL10133239

SCHEMBL10133239

Cc1c(N2CC(C)OC(C)C2)ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)c1F

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
GSK3B P49841 1/20 0.39
TP53 P04637 1/20 0.36
GAK O14976 1/20 0.36
KMT2A Q03164 2/20 0.34
CCR8 P51685 2/20 0.34
USP30 Q70CQ3 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPY5R Q15761 1/20 0.33
TSHR P16473 1/20 0.33
ABL1 P00519 1/20 0.33
JAK1 P23458 1/20 0.32
MEN1 O00255 1/20 0.32
RAB9A P51151 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
SCHEMBL10114831 1.00 MAPT (0.39) MAPTGSK3BTP53GAKKMT2A
SCHEMBL14424112 1.00 MAPT (0.39) MAPTGSK3BTP53GAKKMT2A
SCHEMBL10114704 0.93 MAPT (0.40) MAPTGSK3BTP53GAKKMT2A
SCHEMBL13204300 0.93 MAPT (0.40) MAPTGSK3BTP53GAKKMT2A
SCHEMBL10114751 0.93 MAPT (0.41) MAPTGSK3BTP53GAKKMT2A
SCHEMBL14424177 0.93 MAPT (0.41) MAPTGSK3BTP53GAKKMT2A
SCHEMBL10115968 0.86 USP30 (0.37) GSK3BKMT2ACCR8USP30LMNA
SCHEMBL10133591 0.86 USP30 (0.37) GSK3BKMT2ACCR8USP30LMNA
SCHEMBL10134094 0.86 TP53 (0.42) MAPTGSK3BTP53GAKKMT2A
SCHEMBL13204297 0.86 TP53 (0.42) MAPTGSK3BTP53GAKKMT2A

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 MAPT 3367/4885GSK3B 2333/4885TP53 4417/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAPT 3683/4885GSK3B 2284/4885TP53 4486/4885

“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.