SCHEMBL10114766

SCHEMBL10114766

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2ccc(C(C)(C)O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
NPY5R Q15761 1/20 0.45
ENPP3 O14638 3/20 0.44
ENPP1 P22413 3/20 0.44
LMNA P02545 2/20 0.44
ENPP2 Q13822 1/20 0.43
GLA P06280 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
EPHX2 P34913 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL14424181 1.00 NAMPT (0.46) NAMPTNPSR1NPY5RENPP3ENPP1
SCHEMBL13204277 0.92 ENPP3 (0.53) NAMPTNPSR1NPY5RENPP3ENPP1
SCHEMBL10114765 0.92 ENPP3 (0.53) NAMPTNPSR1NPY5RENPP3ENPP1
SCHEMBL10114750 0.89 GLA (0.48) NAMPTNPSR1NPY5RENPP3ENPP1
SCHEMBL14424178 0.89 GLA (0.48) NAMPTNPSR1NPY5RENPP3ENPP1
SCHEMBL12882810 0.88 NPY5R (0.53) NAMPTNPSR1NPY5RENPP3ENPP1
SCHEMBL10114143 0.88 NPY5R (0.53) NAMPTNPSR1NPY5RENPP3ENPP1
SCHEMBL10134426 0.85 NPY5R (0.60) NAMPTNPSR1NPY5RENPP3ENPP1
SCHEMBL10114396 0.85 NPY5R (0.60) NAMPTNPSR1NPY5RENPP3ENPP1
SCHEMBL10114965 0.85 KMT2A (0.45) NAMPTNPSR1NPY5RENPP3ENPP1

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 8 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-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-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
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R NAMPT 2678/4885NPSR1 7/4885NPY5R 1/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885NPSR1 8/4885NPY5R 1/4885

“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.