SCHEMBL597459

SCHEMBL597459

CCCCc1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.56
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.50
NPY5R Q15761 1/20 0.48
CCR8 P51685 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PDGFRB P09619 1/20 0.46
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL10115574 0.94 LMNA (0.48) CNR2LMNANPSR1NPC1RAB9A
SCHEMBL10115532 0.89 NPC1 (0.57) CNR2POLBLMNANPSR1NPC1
SCHEMBL10115527 0.83 LMNA (0.66) POLBLMNANPSR1NPC1RAB9A
SCHEMBL12882021 0.83 LMNA (0.53) CNR2POLBLMNACCR8NPSR1
SCHEMBL10115617 0.83 LMNA (0.53) CNR2POLBLMNACCR8NPSR1
SCHEMBL10113010 0.83 POLB (0.61) POLBLMNANPY5RNPSR1NPC1
SCHEMBL12864650 0.83 POLB (0.61) POLBLMNANPY5RNPSR1NPC1
SCHEMBL10113036 0.83 POLB (0.61) POLBLMNANPY5RNPSR1NPC1
SCHEMBL10115644 0.82 GLA (0.48) POLBLMNANPSR1RAB9ASMN1; SMN2
SCHEMBL10115550 0.82 ALOX5 (0.56) CNR2LMNANPSR1NPC1RAB9A

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 24 patents — showing the first 20. 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-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-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-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
EP-1249233-B1 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2008-08-20 EP disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 US disclosed
US-20040180964-A1 NPY Y5 antagonist SHIONOGI & CO. 2004-09-16 US disclosed
US-20040176462-A1 NPY Y5 antagonist SHIONOGI & CO., LTD. 2004-09-09 US disclosed
US-6699891-B1 SULFONAMIDE OR SULFINAMIDE DERIVATIVES; NEUROPEPTIDE Y ANTAGONISTS; ANOREXIGENIC OR ANTIOBESITY AGENTS SHIONOGI & CO., LTD. (JP) 2004-03-02 US disclosed
EP-1249233-A1 NPYY5 ANTAGONISTS SHIONOGI & CO., LTD. (JP) 2002-10-16 EP 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 (5 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-20040176462-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R CNR2 31/4885POLB 4674/4885LMNA 2375/4885
US-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R CNR2 29/4885POLB 4727/4885LMNA 1925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR2 30/4885POLB 4751/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR2 29/4885POLB 4721/4885LMNA 1857/4885
US-20040180964-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R CNR2 31/4885POLB 4674/4885LMNA 2375/4885

“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.