SCHEMBL4760740

SCHEMBL4760740

CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)N2CCOCC2)C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.54
CYP2C9 P11712 1/20 0.54
CTSK P43235 2/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
CYP2C19 P33261 1/20 0.43
F2R P25116 1/20 0.43

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
SCHEMBL4760727 0.93 RECQL (0.51) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL24705980 0.84 HSD11B1 (0.54) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL28882150 0.84 HSD11B1 (0.54) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL322155 0.83 RECQL (0.53) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL322156 0.83 RECQL (0.53) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL1649898 0.80 CTSK (0.61) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL8296190 0.80 HSD11B1 (0.68) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL470552 0.80 HSD11B1 (0.68) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL4044287 0.80 CTSK (0.61) HSD11B1CYP2C9CTSKCA1CA2
SCHEMBL4042455 0.80 CTSK (0.61) HSD11B1CYP2C9CTSKCA1CA2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
WO-2008033562-A2 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-03-20 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 (4 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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 HSD11B1 2215/4885CYP2C9 4586/4885CTSK 571/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 HSD11B1 2215/4885CYP2C9 4586/4885CTSK 571/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 HSD11B1 2215/4885CYP2C9 4586/4885CTSK 571/4885
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 HSD11B1 2215/4885CYP2C9 4586/4885CTSK 571/4885

“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.