SCHEMBL10115915

SCHEMBL10115915

CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDIT3 P35638 1/20 0.48
USP2 O75604 2/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 3/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP2C9 P11712 1/20 0.45
NAMPT P43490 1/20 0.45
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10134177 1.00 DDIT3 (0.48) DDIT3USP2NPC1KMT2AMAPT
SCHEMBL10134511 0.89 RXFP1 (0.48) KMT2AMAPTGAALMNAALDH1A1
SCHEMBL10115928 0.89 RXFP1 (0.48) KMT2AMAPTGAALMNAALDH1A1
SCHEMBL10115598 0.86 DDIT3 (0.48) DDIT3USP2NPC1KMT2AMAPT
SCHEMBL10134472 0.86 DDIT3 (0.48) DDIT3USP2NPC1KMT2AMAPT
SCHEMBL10115860 0.86 MAPT (0.48) NPC1KMT2AMAPTLMNAMAPK1
SCHEMBL10115911 0.86 MAPT (0.48) NPC1KMT2AMAPTLMNAMAPK1
SCHEMBL10116126 0.86 KMT2A (0.54) NPC1KMT2AMAPTGAAMEN1
SCHEMBL10114757 0.85 DDIT3 (0.48) DDIT3USP2NPC1KMT2AMAPT
SCHEMBL10116074 0.85 NAMPT (0.57) NPC1KMT2AMEN1LMNAHPGD

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 7 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-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-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 (2 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 DDIT3 4749/4885USP2 3137/4885NPC1 1435/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R DDIT3 4672/4885USP2 3680/4885NPC1 1353/4885

“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.