SCHEMBL598185

SCHEMBL598185

CC(C)(C)c1ccc(NC(=O)N2CCC(N[S+]([O-])C(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.55
CNR1 P21554 4/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
EPHX2 P34913 1/20 0.48
TRPV1 Q8NER1 4/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL10112974 0.82 CNR2 (0.55) CNR2LMNANPSR1EPHX2TRPV1
SCHEMBL10115581 0.77 CNR2 (0.56) CNR2CNR1LMNANPSR1CA12
SCHEMBL10115869 0.75 CNR2 (0.54) CNR2CNR1LMNANPSR1CA12
SCHEMBL15085797 0.75 CNR2 (0.71) CNR2CNR1NPSR1KMT2A
SCHEMBL2984848 0.73 ALDH1A1 (0.37) LMNANPSR1EPHX2KMT2A
SCHEMBL6764498 0.72 CNR2 (0.59) CNR2CNR1CA12CA1CA2
SCHEMBL30965820 0.72 POLB (0.63) CNR2CNR1CA12CA1CA2
SCHEMBL10253368 0.71 CNR2 (1.00) CNR2CNR1LMNANPSR1CA12
SCHEMBL1147258 0.70 TRPV1 (0.56) CNR2CNR1CA12CA1CA2
SCHEMBL9466294 0.70 MAPT (0.60) CNR2CNR1CA12CA1CA2

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 12 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
EP-2014285-B1 NPYY5 antagonists SHIONOGI & CO (JP) 2010-05-05 EP disclosed
EP-1249233-B9 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2009-08-05 EP disclosed
EP-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP 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-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 (4 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 31/4885CNR1 13/4885LMNA 2375/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR2 30/4885CNR1 15/4885LMNA 2068/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR2 29/4885CNR1 13/4885LMNA 1857/4885
US-20040180964-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R CNR2 31/4885CNR1 13/4885LMNA 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.