SCHEMBL1782544

SCHEMBL1782544

COC(=O)NC1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.60
CYP2C9 P11712 1/20 0.60
EPHX1 P07099 1/20 0.57
USP30 Q70CQ3 4/20 0.53
CTSK P43235 2/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL2037731 1.00 HSD11B1 (0.60) HSD11B1CYP2C9EPHX1USP30CTSK
SCHEMBL22680068 1.00 HSD11B1 (0.60) HSD11B1CYP2C9EPHX1USP30CTSK
SCHEMBL5822208 0.92 HSD11B1 (0.68) HSD11B1CYP2C9EPHX1USP30CTSK
SCHEMBL470552 0.92 HSD11B1 (0.68) HSD11B1CYP2C9EPHX1USP30CTSK
SCHEMBL8296190 0.92 HSD11B1 (0.68) HSD11B1CYP2C9EPHX1USP30CTSK
SCHEMBL2897115 0.91 CA1 (0.62) HSD11B1CYP2C9EPHX1USP30CTSK
SCHEMBL28767041 0.91 CA1 (0.62) HSD11B1CYP2C9EPHX1USP30CTSK
SCHEMBL27694125 0.91 CA1 (0.62) HSD11B1CYP2C9EPHX1USP30CTSK
SCHEMBL2016955 0.91 EPHX1 (0.68) HSD11B1CYP2C9EPHX1CTSKCA1
SCHEMBL15084767 0.88 HSD11B1 (0.57) HSD11B1CYP2C9EPHX1USP30CTSK

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
CN-117886814-A PD-1/PD-L1 small molecule inhibitor and application thereof in medicines 广东东阳光药业股份有限公司 2024-04-16 CN disclosed
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 US disclosed
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 US disclosed
US-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED 2011-05-19 US disclosed
EP-2231646-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO disclosed
WO-2009076387-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-18 WO 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 (1 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-20110118261-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS MCHR1, MCHR2, MC1R HSD11B1 791/4885CYP2C9 1222/4885EPHX1 1947/4885

“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.