SCHEMBL10115730

SCHEMBL10115730

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.57
CRHBP P24387 3/20 0.51
CRHR2 Q13324 3/20 0.51
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.44
BTK Q06187 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL12882027 1.00 NAMPT (0.57) NAMPTCRHBPCRHR2KMT2AALDH1A1
SCHEMBL10115732 0.89 HSD17B10 (0.51) NAMPTCRHBPCRHR2KMT2ALMNA
SCHEMBL10133509 0.89 HSD17B10 (0.51) NAMPTCRHBPCRHR2KMT2ALMNA
SCHEMBL10115595 0.88 MAPT (0.49) NAMPTKMT2AALDH1A1LMNANPSR1
SCHEMBL13204194 0.88 MAPT (0.49) NAMPTKMT2AALDH1A1LMNANPSR1
SCHEMBL10114420 0.88 MAPT (0.49) NAMPTKMT2AALDH1A1LMNANPSR1
SCHEMBL10133362 0.88 MAPT (0.49) NAMPTKMT2AALDH1A1LMNANPSR1
SCHEMBL10134200 0.86 NAMPT (0.57) NAMPTCRHBPCRHR2KMT2AALDH1A1
SCHEMBL10116074 0.86 NAMPT (0.57) NAMPTCRHBPCRHR2KMT2AALDH1A1
SCHEMBL10114526 0.86 CRHBP (0.51) NAMPTCRHBPCRHR2KMT2AALDH1A1

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 NAMPT 2678/4885CRHBP 238/4885CRHR2 12/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885CRHBP 256/4885CRHR2 13/4885

“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.