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SCHEMBL10114784

SCHEMBL10114784

CC(=O)c1cc2cc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)ccc2oc1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.43
▸ MAOA P21397 2/20 0.42
▸ F12 P00748 5/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GRIA2 P42262 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ NT5E P21589 2/20 0.40
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL14424796 1.00 MAOB (0.43) MAOBMAOAF12KDM4EALDH1A1
SCHEMBL10115936 0.87 MAOB (0.43) MAOBMAOAF12KDM4EALDH1A1
SCHEMBL10114398 0.87 NPY5R (0.44) MAOBMAOAF12KDM4EALDH1A1
SCHEMBL10134437 0.87 NPY5R (0.44) MAOBMAOAF12KDM4EALDH1A1
SCHEMBL13565461 0.85 MAOB (0.43) MAOBMAOAF12KDM4EALDH1A1
SCHEMBL17090021 0.85 MAOB (0.43) MAOBMAOAF12KDM4EALDH1A1
SCHEMBL12882889 0.84 ALDH1A1 (0.54) KDM4EALDH1A1CA12CA9RAB9A
SCHEMBL10116523 0.76 MAOB (0.48) MAOBMAOAF12KDM4EALDH1A1
SCHEMBL10114012 0.76 L3MBTL1 (0.56) GRIA2RAB9ANPC1MAPTMEN1
SCHEMBL10113958 0.76 NAMPT (0.66) KDM4EGRIA2MAPTSMN1; SMN2MEN1

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 9 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-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 MAOB 1153/4885MAOA 1264/4885F12 1449/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAOB 1152/4885MAOA 1282/4885F12 1918/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R MAOB 1144/4885MAOA 1277/4885F12 1477/4885

“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.