SCHEMBL10113100

SCHEMBL10113100

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(N)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 4/20 0.46
BTK Q06187 1/20 0.45
DDX3X O00571 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 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
SCHEMBL13203720 1.00 NPY5R (0.53) NPY5RSMN1; SMN2GAAUSP2LMNA
SCHEMBL10113273 0.88 NPY5R (0.53) NPY5RSMN1; SMN2GAAUSP2LMNA
SCHEMBL10113097 0.88 NPY5R (0.53) NPY5RSMN1; SMN2GAAUSP2LMNA
SCHEMBL13203821 0.88 NPY5R (0.53) NPY5RSMN1; SMN2GAAUSP2LMNA
SCHEMBL10114576 0.88 ALDH1A1 (0.56) NPY5RSMN1; SMN2GAAUSP2LMNA
SCHEMBL13203717 0.88 NPY5R (0.53) NPY5RSMN1; SMN2GAAUSP2LMNA
SCHEMBL14424628 0.88 ALDH1A1 (0.56) NPY5RSMN1; SMN2GAAUSP2LMNA
SCHEMBL10113344 0.87 GAA (0.54) NPY5RSMN1; SMN2GAAUSP2LMNA
SCHEMBL13203864 0.87 GAA (0.54) NPY5RSMN1; SMN2GAAUSP2LMNA
SCHEMBL10133214 0.87 NPY5R (0.54) NPY5RSMN1; SMN2GAAUSP2LMNA

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-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-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 1/4885SMN1; SMN2 2197/4885GAA 3316/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPY5R 1/4885SMN1; SMN2 2251/4885GAA 3472/4885

“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.