Sugi Predict

Sugi Predict / Compounds / SCHEMBL10116015

SCHEMBL10116015

SCHEMBL10116015

CC1[C@@H](C)O[C@@H](C)CN1c1ccc(NC(=O)N2CCC(NS(=O)(=O)C(C)C)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 4/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ NAMPT P43490 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX15 P16050 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
SCHEMBL10134505 0.91 ALDH1A1 (0.39) ALDH1A1LMNAKMT2ANPSR1MAPT
SCHEMBL10116088 0.91 ALDH1A1 (0.39) ALDH1A1LMNAKMT2ANPSR1MAPT
SCHEMBL10115668 0.87 LMNA (0.42) ALDH1A1LMNAKMT2ANPSR1MAPT
SCHEMBL10116031 0.87 HRH3 (0.39) ALDH1A1LMNAKMT2AHRH3NPC1
SCHEMBL10133823 0.87 HRH3 (0.39) ALDH1A1LMNAKMT2AHRH3NPC1
SCHEMBL10115911 0.86 MAPT (0.48) ALDH1A1LMNAKMT2ANPSR1MAPT
SCHEMBL10115860 0.86 MAPT (0.48) ALDH1A1LMNAKMT2ANPSR1MAPT
SCHEMBL10116086 0.83 CCR8 (0.36) KMT2AMAPTMAPK1L3MBTL1
SCHEMBL10134504 0.83 CCR8 (0.36) KMT2AMAPTMAPK1L3MBTL1
SCHEMBL10116074 0.82 NAMPT (0.57) ALDH1A1LMNAKMT2ANPSR1NAMPT

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 ALDH1A1 4558/4885LMNA 1925/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885LMNA 1857/4885KMT2A 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.