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SCHEMBL10115539

SCHEMBL10115539

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ KMT2A Q03164 1/20 0.53
▸ PANK3 Q9H999 9/20 0.52
▸ CNR2 P34972 1/20 0.52
▸ MAPT P10636 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ TP53 P04637 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ TRPV1 Q8NER1 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ EPHX2 P34913 1/20 0.50

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
SCHEMBL12882021 0.89 LMNA (0.53) KMT2ACNR2ALDH1A1LMNANPSR1
SCHEMBL10115549 0.89 MEN1 (0.58) NPC1RAB9AKMT2ACNR2MAPT
SCHEMBL10115550 0.88 ALOX5 (0.56) NPC1RAB9AKMT2ACNR2MAPT
SCHEMBL10115617 0.87 LMNA (0.53) KMT2ACNR2MAPTALDH1A1TP53
SCHEMBL10115527 0.87 LMNA (0.66) NPC1RAB9AKMT2AMAPTLMNA
SCHEMBL10114621 0.86 KMT2A (0.59) NPC1RAB9AKMT2APANK3MAPT
SCHEMBL10115581 0.86 CNR2 (0.56) CNR2MAPTALDH1A1LMNATRPV1
SCHEMBL10115852 0.86 NPC1 (0.57) NPC1RAB9AKMT2APANK3CNR2
SCHEMBL10115579 0.85 ALDH1A1 (0.55) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL10115759 0.85 LMNA (0.47) KMT2APANK3MAPTALDH1A1MAPK1

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 NPC1 1435/4885RAB9A 3699/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885KMT2A 2953/4885

“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.