SCHEMBL10115732

SCHEMBL10115732

C[C@@H]1CN(C(=O)c2cccc(NC(=O)N3CCC(NS(=O)(=O)C(C)(C)C)CC3)c2)C[C@H](C)O1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
LMNA P02545 3/20 0.47
NAMPT P43490 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CAMK1D Q8IU85 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL10133509 1.00 HSD17B10 (0.51) HSD17B10LMNANAMPTNPC1RAB9A
SCHEMBL12882027 0.89 NAMPT (0.57) LMNANAMPTNPC1L3MBTL1KMT2A
SCHEMBL10115730 0.89 NAMPT (0.57) LMNANAMPTNPC1L3MBTL1KMT2A
SCHEMBL10133441 0.87 HSD17B10 (0.51) HSD17B10LMNARXFP1CRHBPCRHR2
SCHEMBL10114520 0.87 HSD17B10 (0.51) HSD17B10LMNARXFP1CRHBPCRHR2
SCHEMBL14627637 0.87 HSD17B10 (0.51) HSD17B10LMNARXFP1CRHBPCRHR2
SCHEMBL10116076 0.87 HSD17B10 (0.51) HSD17B10LMNANAMPTNPC1RAB9A
SCHEMBL10134197 0.87 HSD17B10 (0.51) HSD17B10LMNANAMPTNPC1RAB9A
SCHEMBL10115518 0.87 LMNA (0.48) LMNANPC1RAB9ACYP2C19L3MBTL1
SCHEMBL10134483 0.87 LMNA (0.48) LMNANPC1RAB9ACYP2C19L3MBTL1

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 HSD17B10 1161/4885LMNA 1925/4885NAMPT 2678/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HSD17B10 1102/4885LMNA 2068/4885NAMPT 2350/4885

“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.