SCHEMBL2687448

SCHEMBL2687448

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.40
APEX1 P27695 1/20 0.40
DPP4 P27487 3/20 0.37
AOC3 Q16853 2/20 0.34
GRM5 P41594 1/20 0.34
GBA1 P04062 2/20 0.33
PDE8B O95263 1/20 0.33
CYP11B2 P19099 1/20 0.33
EBP Q15125 2/20 0.32
CTSD P07339 1/20 0.32
CTSE P14091 1/20 0.32
BACE1 P56817 1/20 0.32
TACR2 P21452 1/20 0.30
BRD4 O60885 1/20 0.30
BAZ2A Q9UIF9 1/20 0.30

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
SCHEMBL4227086 0.82 CHRM5 (0.45) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL2687447 0.78 AOC3 (0.34) AOC3GRM5GBA1PDE8BTACR2
SCHEMBL4702124 0.75 CYP3A4 (0.38) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL3816674 0.75 CYP3A4 (0.38) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL2686629 0.71 PDE8B (0.33) PDE8BCYP11B2CTSDCTSEBACE1
SCHEMBL2688471 0.71 CTSD (0.39) MAPTPDE8BCYP11B2CTSDCTSE
SCHEMBL14143578 0.71 GAA (0.49) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL6258023 0.71 CYP3A4 (0.45) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL14170365 0.70 EBP (0.32) CYP11B2EBPBRD4
SCHEMBL29779388 0.70 KDM4E (0.47) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US 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 CYP3A4 4408/4885TSHR 4114/4885TDP1 794/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 CYP3A4 4408/4885TSHR 4114/4885TDP1 794/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 CYP3A4 4408/4885TSHR 4114/4885TDP1 794/4885

“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.