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SCHEMBL10115029

SCHEMBL10115029

C[C@@H]1CN(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc2F)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10115004 0.90 GAA (0.43) TP53ALOX15TSHRGAAUSP2
SCHEMBL10115011 0.89 NPC1 (0.48) TP53ALOX15TSHRGAAUSP2
SCHEMBL10133519 0.89 NPC1 (0.48) TP53ALOX15TSHRGAAUSP2
SCHEMBL10115055 0.88 HDAC6 (0.39) TP53ALOX15TSHRGAAUSP2
SCHEMBL10115332 0.87 TP53 (0.42) TP53ALOX15TSHRGAAUSP2
SCHEMBL13565736 0.87 USP30 (0.39) GAAUSP30ALDH1A1KDM4ELMNA
SCHEMBL10115047 0.85 MAPT (0.48) TP53ALOX15TSHRGAAUSP2
SCHEMBL10113454 0.85 MAPT (0.48) TP53ALOX15TSHRGAAUSP2
SCHEMBL10113622 0.85 MAPT (0.48) TP53ALOX15TSHRGAAUSP2
SCHEMBL10114455 0.84 HDAC3 (0.39) GAAUSP2MEN1KMT2AALDH1A1

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 TP53 4449/4885ALOX15 865/4885TSHR 163/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4417/4885ALOX15 851/4885TSHR 189/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4486/4885ALOX15 801/4885TSHR 173/4885

“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.