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SCHEMBL10115306

SCHEMBL10115306

Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc(C)c1N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ GRIA1 P42261 2/20 0.35

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
SCHEMBL10115255 0.89 HDAC6 (0.39) GAAUSP2KMT2AMEN1HTR1A
SCHEMBL10115371 0.88 GAA (0.43) GAAUSP2KMT2AMEN1HTR1A
SCHEMBL10115048 0.86 GAA (0.41) GAAUSP2KMT2AMEN1TP53
SCHEMBL13565632 0.85 GRIA1 (0.41) HTR1ATSHRALDH1A1GRIA1
SCHEMBL13204591 0.84 ALDH1A1 (0.40) GAAUSP2KMT2AMEN1HTR1A
SCHEMBL10115363 0.84 ALDH1A1 (0.40) GAAUSP2KMT2AMEN1HTR1A
SCHEMBL10115381 0.84 MAPT (0.48) GAAUSP2HTR1ATP53ALOX15
SCHEMBL10133367 0.84 MAPT (0.48) GAAUSP2HTR1ATP53ALOX15
SCHEMBL10113727 0.84 MAPT (0.48) GAAUSP2HTR1ATP53ALOX15
SCHEMBL10113352 0.84 MAPT (0.48) GAAUSP2HTR1ATP53ALOX15

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 GAA 3448/4885USP2 3137/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3316/4885USP2 3680/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3472/4885USP2 3174/4885KMT2A 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.