SCHEMBL10114526

SCHEMBL10114526

C[C@@H]1CN(C(=O)c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)cc2)C[C@H](C)O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.51
CRHR2 Q13324 3/20 0.51
NAMPT P43490 1/20 0.49
KMT2A Q03164 2/20 0.48
JAK2 O60674 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
NPY5R Q15761 1/20 0.46
ABL1 P00519 1/20 0.45
RIN1 Q13671 1/20 0.45
HSD11B1 P28845 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 1/20 0.42
PTPN1 P18031 1/20 0.42
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL14627639 1.00 CRHBP (0.51) CRHBPCRHR2NAMPTKMT2AJAK2
SCHEMBL10133229 1.00 CRHBP (0.51) CRHBPCRHR2NAMPTKMT2AJAK2
SCHEMBL10133441 0.89 HSD17B10 (0.51) CRHBPCRHR2JAK2ALDH1A1HPGD
SCHEMBL14627637 0.89 HSD17B10 (0.51) CRHBPCRHR2JAK2ALDH1A1HPGD
SCHEMBL10114520 0.89 HSD17B10 (0.51) CRHBPCRHR2JAK2ALDH1A1HPGD
SCHEMBL10133980 0.87 MAPT (0.50) NAMPTALDH1A1NPY5RSMN1; SMN2
SCHEMBL278192 0.87 MAPT (0.50) NAMPTALDH1A1NPY5RSMN1; SMN2
SCHEMBL13204166 0.87 MAPT (0.50) NAMPTALDH1A1NPY5RSMN1; SMN2
SCHEMBL11936567 0.87 MAPT (0.50) NAMPTALDH1A1NPY5RSMN1; SMN2
SCHEMBL10114327 0.87 MAPT (0.50) NAMPTALDH1A1NPY5RSMN1; SMN2

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