SCHEMBL10133494

SCHEMBL10133494

CC1CN(S(=O)(=O)c2cccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)c2)CC(C)O1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 4/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 3/20 0.48
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
GRIA2 P42262 1/20 0.43

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
SCHEMBL10114774 1.00 RXFP1 (0.49) RXFP1GAALMNAUSP2HTT
SCHEMBL14418505 1.00 RXFP1 (0.49) RXFP1GAALMNAUSP2HTT
SCHEMBL13204317 0.89 DDIT3 (0.48) RXFP1GAALMNAUSP2HPGD
SCHEMBL10133418 0.89 DDIT3 (0.48) RXFP1GAALMNAUSP2HPGD
SCHEMBL10114757 0.89 DDIT3 (0.48) RXFP1GAALMNAUSP2HPGD
SCHEMBL10134442 0.87 RXFP1 (0.49) RXFP1GAALMNAUSP2HTT
SCHEMBL14418439 0.87 RXFP1 (0.49) RXFP1GAALMNAUSP2HTT
SCHEMBL10114397 0.87 RXFP1 (0.49) RXFP1GAALMNAUSP2HTT
SCHEMBL14424260 0.87 RXFP1 (0.49) RXFP1GAALMNAUSP2HTT
SCHEMBL10115928 0.86 RXFP1 (0.48) RXFP1GAALMNAHTTSMN1; SMN2

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 RXFP1 53/4885GAA 3316/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RXFP1 54/4885GAA 3472/4885LMNA 1857/4885

“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.