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SCHEMBL10115581

SCHEMBL10115581

CC(C)(C)c1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.56
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TRPV1 Q8NER1 6/20 0.52
▸ CNR1 P21554 3/20 0.52
▸ EPHX2 P34913 1/20 0.49
▸ TRPA1 O75762 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ TRPM8 Q7Z2W7 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL10115614 0.92 LMNA (0.51) CNR2CA12CA1CA2CA9
SCHEMBL10114658 0.91 TRPV1 (0.56) CNR2NPSR1LMNATRPV1CNR1
SCHEMBL12882021 0.89 LMNA (0.53) CNR2CA12CA1CA2CA9
SCHEMBL10115617 0.89 LMNA (0.53) CNR2CA12CA1CA2CA9
SCHEMBL10115527 0.89 LMNA (0.66) NPSR1LMNAMAPT
SCHEMBL10114621 0.88 KMT2A (0.59) CA12CA1CA2CA9NPSR1
SCHEMBL10115550 0.88 ALOX5 (0.56) CNR2CA12CA1CA2CA9
SCHEMBL10115579 0.88 ALDH1A1 (0.55) NPSR1LMNAALDH1A1
SCHEMBL10115619 0.88 LMNA (0.47) CNR2CA12CA1CA2CA9
SCHEMBL10115626 0.87 LMNA (0.51) CNR2CA12CA1CA2CA9

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 11 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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CNR2 29/4885CA12 1882/4885CA1 1908/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR2 30/4885CA12 1954/4885CA1 1931/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR2 29/4885CA12 2123/4885CA1 2115/4885

“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.