SCHEMBL10114718

SCHEMBL10114718

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.49
MGLL Q99685 1/20 0.47
GRIA4 P48058 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL13204290 1.00 GRIA2 (0.52) GRIA2SMN1; SMN2GAALMNAUSP2
SCHEMBL14424190 0.88 GRIA4 (0.45) GRIA2SMN1; SMN2GAALMNAUSP2
SCHEMBL10114861 0.88 GRIA4 (0.45) GRIA2SMN1; SMN2GAALMNAUSP2
SCHEMBL10114988 0.87 LMNA (0.59) GRIA2SMN1; SMN2GAALMNAUSP2
SCHEMBL10114063 0.87 GRIA2 (0.53) GRIA2SMN1; SMN2GAALMNAUSP2
SCHEMBL13204425 0.87 LMNA (0.59) GRIA2SMN1; SMN2GAALMNAUSP2
SCHEMBL10113954 0.87 GRIA2 (0.53) GRIA2SMN1; SMN2GAALMNAUSP2
SCHEMBL10113957 0.87 GRIA2 (0.64) GRIA2SMN1; SMN2GAALMNAUSP2
SCHEMBL10114024 0.86 GRIA2 (0.52) GRIA2SMN1; SMN2GAALMNAUSP2
SCHEMBL10114122 0.86 ALDH1A1 (0.62) GRIA2SMN1; SMN2GAALMNAUSP2

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 GRIA2 334/4885SMN1; SMN2 2197/4885GAA 3316/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GRIA2 358/4885SMN1; 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.