SCHEMBL10115598

SCHEMBL10115598

C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)C[C@H](C)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDIT3 P35638 1/20 0.48
NAMPT P43490 2/20 0.47
CYP2C9 P11712 1/20 0.47
USP2 O75604 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 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
SCHEMBL10134472 1.00 DDIT3 (0.48) DDIT3NAMPTCYP2C9USP2NPC1
SCHEMBL10133817 0.89 RXFP1 (0.48) MAPTGAALMNAALDH1A1RXFP1
SCHEMBL10115621 0.89 RXFP1 (0.48) MAPTGAALMNAALDH1A1RXFP1
SCHEMBL13204194 0.87 MAPT (0.49) NAMPTMAPTLMNAKMT2ANPSR1
SCHEMBL10133362 0.87 MAPT (0.49) NAMPTMAPTLMNAKMT2ANPSR1
SCHEMBL10114420 0.87 MAPT (0.49) NAMPTMAPTLMNAKMT2ANPSR1
SCHEMBL10115595 0.87 MAPT (0.49) NAMPTMAPTLMNAKMT2ANPSR1
SCHEMBL10115915 0.86 DDIT3 (0.48) DDIT3NAMPTCYP2C9USP2NPC1
SCHEMBL10134177 0.86 DDIT3 (0.48) DDIT3NAMPTCYP2C9USP2NPC1
SCHEMBL10115781 0.86 KMT2A (0.54) NAMPTCYP2C9NPC1MAPTGAA

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 4749/4885NAMPT 2678/4885CYP2C9 1324/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R DDIT3 4672/4885NAMPT 2350/4885CYP2C9 1654/4885

“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.