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SCHEMBL10113844

SCHEMBL10113844

CCCCOc1ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 11/20 0.48
▸ HDAC1 Q13547 10/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ ITGB3 P05106 1/20 0.40
▸ ITGA2B P08514 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ CNR1 P21554 1/20 0.40

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
SCHEMBL10113836 0.89 CNR2 (0.47) HDAC6MEN1LMNAPKMKMT2A
SCHEMBL12882868 0.86 ALDH1A1 (0.39) HDAC6MEN1LMNAPKMKMT2A
SCHEMBL10113573 0.86 HDAC3 (0.48) HDAC3HDAC1HDAC6ALDH1A1CNR2
SCHEMBL10113843 0.84 MAPT (0.50) MEN1LMNAPKMKMT2AALDH1A1
SCHEMBL13565424 0.84 GRIA1 (0.43) LMNAALDH1A1
SCHEMBL10113763 0.83 L3MBTL1 (0.58) MEN1LMNAPKMKMT2AALDH1A1
SCHEMBL10113825 0.82 THRB (0.53) HDAC6MEN1LMNAKMT2AALDH1A1
SCHEMBL10113873 0.77 CYP2D6 (0.46) MEN1LMNAKMT2AALDH1A1CNR2
SCHEMBL10113868 0.77 EPHX2 (0.57) HDAC3HDAC1HDAC6LMNAPKM
SCHEMBL10113876 0.77 GAA (0.45) MEN1LMNAPKMKMT2AALDH1A1

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 HDAC3 664/4885HDAC1 1995/4885HDAC6 1853/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 489/4885HDAC1 1703/4885HDAC6 1602/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 669/4885HDAC1 2021/4885HDAC6 1849/4885

“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.