SCHEMBL10114765

SCHEMBL10114765

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 3/20 0.53
ENPP1 P22413 3/20 0.53
ENPP2 Q13822 1/20 0.52
TRPV1 Q8NER1 2/20 0.47
NAMPT P43490 1/20 0.47
GAA P10253 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPY5R Q15761 1/20 0.46
EPHX1 P07099 1/20 0.45
EPHX2 P34913 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 1/20 0.42
GFER P55789 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
SCHEMBL13204277 1.00 ENPP3 (0.53) ENPP3ENPP1ENPP2TRPV1NAMPT
SCHEMBL14424181 0.92 NAMPT (0.46) ENPP3ENPP1ENPP2NAMPTGAA
SCHEMBL10114766 0.92 NAMPT (0.46) ENPP3ENPP1ENPP2NAMPTGAA
SCHEMBL12882810 0.89 NPY5R (0.53) ENPP3ENPP1ENPP2TRPV1NAMPT
SCHEMBL10114143 0.89 NPY5R (0.53) ENPP3ENPP1ENPP2TRPV1NAMPT
SCHEMBL14424178 0.88 GLA (0.48) ENPP3ENPP1ENPP2NAMPTGAA
SCHEMBL10114750 0.88 GLA (0.48) ENPP3ENPP1ENPP2NAMPTGAA
SCHEMBL13204420 0.86 KMT2A (0.45) ENPP3ENPP1NAMPTNPSR1NPY5R
SCHEMBL10114965 0.86 KMT2A (0.45) ENPP3ENPP1NAMPTNPSR1NPY5R
SCHEMBL13204426 0.86 PTPN1 (0.56) ENPP3ENPP1ENPP2NAMPTNPSR1

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 ENPP3 3225/4885ENPP1 3059/4885ENPP2 459/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ENPP3 3416/4885ENPP1 3327/4885ENPP2 547/4885

“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.