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SCHEMBL10115832

SCHEMBL10115832

Cc1cc(-c2ncco2)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)(C)C)C(C)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ KIF18A Q8NI77 1/20 0.35
▸ CYP8B1 Q9UNU6 4/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ MAP4K1 Q92918 2/20 0.32
▸ PI4KB Q9UBF8 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 0.32

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
SCHEMBL10116160 0.89 GSK3B (0.36) FAAHEPHX2CYP8B1RAB9ATHRB
SCHEMBL10115817 0.87 RAB9A (0.39) FAAHEPHX2KIF18ARAB9ATHRB
SCHEMBL10115827 0.85 GHSR (0.39) RAB9ATHRBHRH3POLBNPC1
SCHEMBL10116153 0.77 GRIA2 (0.39) FAAHEPHX2RAB9ATHRBPOLB
SCHEMBL10115780 0.73 FAAH (0.49) FAAHEPHX2KIF18ALMNA
SCHEMBL10116159 0.73 HCRTR2 (0.38) RAB9ATHRBPOLBNPC1KMT2A
SCHEMBL10116400 0.71 MAPT (0.43) RAB9ANPC1KMT2ALMNA
SCHEMBL10115007 0.70 FAAH (0.37) FAAHEPHX2RAB9AKMT2AMAP4K1
SCHEMBL10116420 0.70 MAPT (0.44) RAB9ANPC1LMNA
SCHEMBL12882636 0.70 MAPT (0.46) HRH3KMT2ALMNA

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 FAAH 974/4885EPHX2 2158/4885KIF18A 4519/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R FAAH 994/4885EPHX2 2527/4885KIF18A 4554/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R FAAH 974/4885EPHX2 2306/4885KIF18A 4489/4885

“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.