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SCHEMBL10113595

SCHEMBL10113595

CCCCOc1cccc(CNC(=O)CCCCNS(=O)(=O)C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 6/20 0.57
▸ FAAH O00519 2/20 0.52
▸ CNR2 P34972 1/20 0.51
▸ PKM P14618 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ STS P08842 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL10113603 0.86 CYP2D6 (0.45) EPHX2CNR2LMNACYP2D6
SCHEMBL10113868 0.86 EPHX2 (0.57) EPHX2FAAHCNR2PKMHDAC3
SCHEMBL13564776 0.84 CHRM2 (0.50) CNR2CYP2D6
SCHEMBL10113560 0.84 THRB (0.53) EPHX2FAAHCNR2LMNACYP2D6
SCHEMBL10113591 0.79 HDAC1 (0.53) EPHX2PKMHDAC3HDAC1HDAC2
SCHEMBL10113494 0.79 STS (0.50) EPHX2FAAHHDAC3HDAC1HDAC2
SCHEMBL10113178 0.79 ALDH1A1 (0.56) CNR2STS
SCHEMBL13564781 0.78 CYP2D6 (0.43) CYP2D6
SCHEMBL10113497 0.78 L3MBTL1 (0.58) CNR2PKMLMNAL3MBTL1
SCHEMBL10113565 0.78 CNR2 (0.45) CNR2HDAC6

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 10 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
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 EPHX2 2158/4885FAAH 974/4885CNR2 29/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2527/4885FAAH 994/4885CNR2 30/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2306/4885FAAH 974/4885CNR2 29/4885

“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.