SCHEMBL10133715

SCHEMBL10133715

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)NCc2cccc3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.55
NQO2 P16083 1/20 0.53
P2RX7 Q99572 1/20 0.50
NPY5R Q15761 1/20 0.45
MTNR1A P48039 3/20 0.44
CA2 P00918 1/20 0.43
HPGD P15428 1/20 0.43
SSTR4 P31391 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
MTNR1B P49286 1/20 0.41

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
SCHEMBL13203797 1.00 EPHX2 (0.55) EPHX2NQO2P2RX7NPY5RMTNR1A
SCHEMBL10114053 0.86 EPHX2 (0.54) EPHX2NQO2P2RX7MTNR1ACA2
SCHEMBL10114144 0.85 CA12 (0.52) EPHX2P2RX7NPY5RCA2HPGD
SCHEMBL13203842 0.84 NPY5R (0.48) EPHX2NQO2NPY5RMTNR1AHPGD
SCHEMBL10113308 0.84 NPY5R (0.48) EPHX2NQO2NPY5RMTNR1AHPGD
SCHEMBL13565399 0.83 NPY5R (0.59) EPHX2P2RX7NPY5RCA2SSTR4
SCHEMBL17090300 0.83 NPY5R (0.59) EPHX2P2RX7NPY5RCA2SSTR4
SCHEMBL10113307 0.83 NPY5R (0.47) EPHX2NQO2NPY5RHPGDSSTR4
SCHEMBL13203843 0.83 NPY5R (0.47) EPHX2NQO2NPY5RHPGDSSTR4
SCHEMBL13203840 0.82 ALDH1A1 (0.47) NPY5RHPGDMEN1KMT2AALDH1A1

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-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 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 EPHX2 2527/4885NQO2 1940/4885P2RX7 159/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2306/4885NQO2 1964/4885P2RX7 162/4885

“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.