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SCHEMBL10116770

SCHEMBL10116770

CC1CC(Oc2ccc(NC(=O)c3ccc(NS(=O)(=O)C(C)C)cc3)cc2)CC(C)O1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ THRB P10828 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
SCHEMBL10116453 0.85 NPC1 (0.45) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL10116661 0.84 LMNA (0.49) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL10116727 0.84 HRH3 (0.51) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL10116688 0.84 LMNA (0.48) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL10116747 0.82 HRH3 (0.45) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL13565302 0.80 HRH3 (0.43) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL10116742 0.79 LMNA (0.43) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL10116505 0.78 MAPT (0.52) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL10133455 0.78 MAPT (0.52) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL10114527 0.78 MAPT (0.52) NPC1RAB9AMEN1KMT2ALMNA

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 3699/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1353/4885RAB9A 3651/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NPC1 1462/4885RAB9A 3820/4885MEN1 2926/4885

“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.