SCHEMBL10133501

SCHEMBL10133501

CC1CN(C(=O)c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CC(C)O1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
CRHBP P24387 3/20 0.48
CRHR2 Q13324 3/20 0.48
KMT2A Q03164 2/20 0.48
JAK2 O60674 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 1/20 0.45
NPC1 O15118 1/20 0.44
HSD11B1 P28845 2/20 0.42
PTPN1 P18031 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN2 P17706 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
SCHEMBL10114882 1.00 NAMPT (0.49) NAMPTCRHBPCRHR2KMT2AJAK2
SCHEMBL14424644 1.00 NAMPT (0.49) NAMPTCRHBPCRHR2KMT2AJAK2
SCHEMBL13204379 1.00 NAMPT (0.49) NAMPTCRHBPCRHR2KMT2AJAK2
SCHEMBL14627688 0.89 HSD17B10 (0.51) JAK2ALDH1A1HPGDSMN1; SMN2MGLL
SCHEMBL10114892 0.89 HSD17B10 (0.51) JAK2ALDH1A1HPGDSMN1; SMN2MGLL
SCHEMBL10133458 0.89 HSD17B10 (0.51) JAK2ALDH1A1HPGDSMN1; SMN2MGLL
SCHEMBL13204378 0.89 HSD17B10 (0.51) JAK2ALDH1A1HPGDSMN1; SMN2MGLL
SCHEMBL10116074 0.86 NAMPT (0.57) NAMPTCRHBPCRHR2KMT2AALDH1A1
SCHEMBL10134200 0.86 NAMPT (0.57) NAMPTCRHBPCRHR2KMT2AALDH1A1
SCHEMBL14627639 0.86 CRHBP (0.51) NAMPTCRHBPCRHR2KMT2AJAK2

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 4 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-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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2350/4885CRHBP 256/4885CRHR2 13/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R NAMPT 2832/4885CRHBP 247/4885CRHR2 12/4885

“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.