SCHEMBL10115087

SCHEMBL10115087

Cc1cc(NC(=O)CC(C)CCNS(=O)(=O)C(C)C)c(C)c2c1OCO2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL10115085 0.88 ATM (0.33) ATMLMNA
SCHEMBL10115316 0.84 LMNA (0.38) ATMLMNAALDH1A1GAARXFP1
SCHEMBL13565156 0.84 GRIA1 (0.32)
SCHEMBL10115431 0.82 LMNA (0.43) LMNAALDH1A1
SCHEMBL10114814 0.74 LMNA (0.63) LMNAALDH1A1
SCHEMBL13973439 0.73 SMN1; SMN2 (0.37) LMNAALDH1A1GAA
SCHEMBL13972730 0.71 PKM (0.33) LMNA
SCHEMBL13565205 0.70 EDNRA (0.32)
SCHEMBL11935772 0.70 MAPT (0.32) LMNAALDH1A1GAA
SCHEMBL10114850 0.69 ALDH1A1 (0.39) LMNAALDH1A1

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 ATM 4841/4885LMNA 1925/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ATM 4831/4885LMNA 2068/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ATM 4834/4885LMNA 1857/4885ALDH1A1 4517/4885

“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.