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SCHEMBL10115852

SCHEMBL10115852

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ KMT2A Q03164 3/20 0.55
▸ EPHX2 P34913 2/20 0.52
▸ PANK3 Q9H999 9/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ MAPT P10636 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ TP53 P04637 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.49
▸ MEN1 O00255 1/20 0.49

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
SCHEMBL12882838 0.91 TSHR (0.48) NPC1RAB9AKMT2AEPHX2ALDH1A1
SCHEMBL10115865 0.90 ALOX5 (0.56) NPC1RAB9AKMT2AEPHX2MAPT
SCHEMBL13222448 0.89 GAA (0.50) NPC1RAB9AKMT2AEPHX2ALDH1A1
SCHEMBL10115847 0.89 LMNA (0.59) NPC1RAB9AKMT2AEPHX2MAPT
SCHEMBL10115861 0.89 KMT2A (0.61) NPC1RAB9AKMT2AEPHX2CNR2
SCHEMBL10114601 0.88 KMT2A (0.59) NPC1RAB9AKMT2AEPHX2PANK3
SCHEMBL10115849 0.88 ALDH1A1 (0.55) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL10115945 0.87 LMNA (0.46) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL10115855 0.86 NPC1 (0.57) NPC1RAB9AKMT2AEPHX2CNR2
SCHEMBL10116010 0.86 ALDH1A1 (0.48) KMT2AEPHX2ALDH1A1LMNATRPV1

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.