SCHEMBL2687447

SCHEMBL2687447

NC(=O)[C@@H]1CCN(CC2CCOCC2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
GRM5 P41594 1/20 0.34
GBA1 P04062 1/20 0.33
TACR2 P21452 1/20 0.33
FEN1 P39748 1/20 0.33
HSD11B1 P28845 1/20 0.32
KDM4E B2RXH2 4/20 0.32
FPR2 P25090 1/20 0.32
BRD4 O60885 1/20 0.32
CNR2 P34972 4/20 0.32
CNR1 P21554 3/20 0.32
PDE8B O95263 1/20 0.31

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
SCHEMBL4702120 0.78 RAMP1 (0.36) FPR2
SCHEMBL2687448 0.78 CYP3A4 (0.40) AOC3GRM5GBA1TACR2BRD4
SCHEMBL20525267 0.75 ACE (0.35)
SCHEMBL2688470 0.75 CTSD (0.36) FEN1HSD11B1KDM4EBRD4CNR2
SCHEMBL2686628 0.75 FEN1 (0.32) GBA1TACR2FEN1BRD4CNR2
SCHEMBL2687742 0.74 TSHR (0.46) KDM4E
SCHEMBL4480285 0.74 TSHR (0.34)
SCHEMBL2686288 0.72 PARP1 (0.34)
SCHEMBL892512 0.70 CHRM5 (0.41) FEN1FPR2CNR2CNR1
SCHEMBL7219154 0.70 MAOB (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3168215-B1 PROCESS FOR PREPARATION OF BARNIDIPINE USV PRIVATE LTD (IN) 2020-05-20 EP claimed
EP-3008038-B1 NEW SUCCINATE DERIVATIVES SYMRISE AG (DE) 2018-04-04 EP claimed
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP claimed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US claimed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US claimed
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 claimed
EP-2079727-A2 KINASE INHIBITOR COMPOUNDS Xcovery, INC. (US) 2009-07-22 EP claimed
EP-1377579-B1 ACYL AND SULFONYL DERIVATIVES OF 6,9-DISUBSTITUTED 2-(TRANS-1,4-DIAMINOCYCLOHEXYL)-PURINES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS AVENTIS PHARMA INC (US) 2009-03-25 EP claimed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US claimed
WO-2008033562-A2 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-03-20 WO claimed
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-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 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
EP-2079727-A2 KINASE INHIBITOR COMPOUNDS Xcovery, INC. (US) 2009-07-22 EP 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 (3 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 AOC3 4351/4885GRM5 1510/4885GBA1 1108/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 AOC3 4351/4885GRM5 1510/4885GBA1 1108/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 AOC3 4351/4885GRM5 1510/4885GBA1 1108/4885

“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.