SCHEMBL743098

SCHEMBL743098

COC(=O)C#CC1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.58
PDK4 Q16654 1/20 0.46
GRM1 Q13255 9/20 0.43
NAMPT P43490 1/20 0.43
ESR2 Q92731 1/20 0.41
NR1H2 P55055 2/20 0.40
JAK1 P23458 1/20 0.40
HTR6 P50406 1/20 0.38
CYP11B2 P19099 1/20 0.37

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
SCHEMBL2893138 0.84 GRM5 (0.63) GRM5PDK4GRM1NAMPTESR2
SCHEMBL20001581 0.81 GRM5 (0.60) GRM5PDK4GRM1NAMPTESR2
SCHEMBL3348910 0.81 GRM5 (0.66) GRM5PDK4GRM1NAMPTESR2
SCHEMBL2893109 0.80 GRM5 (0.58) GRM5PDK4GRM1NAMPTESR2
SCHEMBL2891556 0.80 GRM5 (0.58) GRM5PDK4GRM1NAMPTESR2
SCHEMBL15991177 0.80 GRM5 (0.58) GRM5PDK4GRM1NAMPTESR2
SCHEMBL14995149 0.79 GRM5 (0.70) GRM5PDK4GRM1NAMPTESR2
SCHEMBL30437960 0.78 GRM5 (0.54) GRM5PDK4GRM1NAMPTESR2
SCHEMBL19989696 0.78 GRM5 (0.69) GRM5PDK4GRM1NAMPTESR2
SCHEMBL941018 0.77 GRM5 (0.61) GRM5PDK4GRM1NAMPTESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 GRM5 4014/4885PDK4 1761/4885GRM1 2626/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 GRM5 4014/4885PDK4 1761/4885GRM1 2626/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 GRM5 4145/4885PDK4 3682/4885GRM1 2985/4885

“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.