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Sugi Predict / Compounds / SCHEMBL10115299

SCHEMBL10115299

SCHEMBL10115299

CC(C)[C@@H]1CN(c2ccc(NC(=O)CCCCNS(=O)(=O)C(C)C)cc2)CCO1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 10/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL10133259 1.00 CNR1 (0.44) CNR1ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10133261 0.90 CNR1 (0.45) CNR1ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10115046 0.89 CNR1 (0.43) CNR1ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10133453 0.89 CNR1 (0.43) CNR1ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10113669 0.86 ALDH1A1 (0.59) CNR1ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL11935751 0.85 GRIA1 (0.39) ALDH1A1MAPTL3MBTL1KDM4ESMN1; SMN2
SCHEMBL13105787 0.85 GRIA1 (0.39) ALDH1A1MAPTL3MBTL1KDM4ESMN1; SMN2
SCHEMBL10113756 0.83 MCHR1 (0.46) CNR1ALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL10113690 0.82 GAA (0.59) ALDH1A1MAPTL3MBTL1KDM4ESMN1; SMN2
SCHEMBL10113735 0.82 NAMPT (0.46) CNR1ALDH1A1MAPTL3MBTL1KDM4E

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 9 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-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-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 CNR1 13/4885ALDH1A1 4558/4885MAPT 3602/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR1 15/4885ALDH1A1 4599/4885MAPT 3367/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR1 13/4885ALDH1A1 4517/4885MAPT 3683/4885

“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.