SCHEMBL10133481

SCHEMBL10133481

CC1CN(c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)c(F)c2)CC(C)O1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.46
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
GAK O14976 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
GSK3B P49841 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EPHX2 P34913 1/20 0.36

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
SCHEMBL13204140 1.00 NPY5R (0.46) NPY5RTP53KMT2ASMN1; SMN2BRAF
SCHEMBL14424253 1.00 NPY5R (0.46) NPY5RTP53KMT2ASMN1; SMN2BRAF
SCHEMBL10114326 1.00 NPY5R (0.46) NPY5RTP53KMT2ASMN1; SMN2BRAF
SCHEMBL10133381 0.90 HRH3 (0.47) NPY5RKMT2AGAKTSHRMAPT
SCHEMBL10114336 0.90 HRH3 (0.47) NPY5RKMT2AGAKTSHRMAPT
SCHEMBL10114451 0.88 TP53 (0.42) TP53KMT2ASMN1; SMN2BRAFKDR
SCHEMBL14424079 0.88 TP53 (0.42) TP53KMT2ASMN1; SMN2BRAFKDR
SCHEMBL10134414 0.88 TP53 (0.42) TP53KMT2ASMN1; SMN2BRAFKDR
SCHEMBL10133275 0.86 MAPT (0.41) TP53KMT2ASMN1; SMN2MAPTHRH3
SCHEMBL10115558 0.86 MAPT (0.41) TP53KMT2ASMN1; SMN2MAPTHRH3

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 NPY5R 1/4885TP53 4417/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885TP53 4486/4885KMT2A 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.