SCHEMBL10114520

SCHEMBL10114520

C[C@@H]1CN(C(=O)c2cccc(NC(=O)C3CCC(NS(=O)(=O)C(C)(C)C)CC3)c2)C[C@H](C)O1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
GAA P10253 2/20 0.46
JAK2 O60674 1/20 0.45
NPY5R Q15761 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MGLL Q99685 2/20 0.42
TP53 P04637 1/20 0.42
RHOA P61586 1/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 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
SCHEMBL10133441 1.00 HSD17B10 (0.51) HSD17B10GAAJAK2NPY5RALDH1A1
SCHEMBL14627637 1.00 HSD17B10 (0.51) HSD17B10GAAJAK2NPY5RALDH1A1
SCHEMBL14627639 0.89 CRHBP (0.51) HSD17B10JAK2NPY5RALDH1A1HPGD
SCHEMBL10133229 0.89 CRHBP (0.51) HSD17B10JAK2NPY5RALDH1A1HPGD
SCHEMBL10114526 0.89 CRHBP (0.51) HSD17B10JAK2NPY5RALDH1A1HPGD
SCHEMBL10133458 0.87 HSD17B10 (0.51) HSD17B10GAAJAK2ALDH1A1HPGD
SCHEMBL13204378 0.87 HSD17B10 (0.51) HSD17B10GAAJAK2ALDH1A1HPGD
SCHEMBL14627688 0.87 HSD17B10 (0.51) HSD17B10GAAJAK2ALDH1A1HPGD
SCHEMBL10115732 0.87 HSD17B10 (0.51) HSD17B10RXFP1LMNACRHBPCRHR2
SCHEMBL10114892 0.87 HSD17B10 (0.51) HSD17B10GAAJAK2ALDH1A1HPGD

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 HSD17B10 1161/4885GAA 3448/4885JAK2 925/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HSD17B10 1102/4885GAA 3316/4885JAK2 1066/4885

“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.