SCHEMBL741687

SCHEMBL741687

O=C(O)c1nc(CN2CCOCC2)cs1.[LiH]

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
ENPP2 Q13822 2/20 0.48
CXCR4 P61073 1/20 0.46
HTT P42858 2/20 0.43
ALOX15 P16050 2/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL12631198 0.99 SMN1; SMN2 (0.60) SMN1; SMN2ENPP2CXCR4HTTALOX15
Lithium Ion SCHEMBL741686 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ENPP2CXCR4HTTALOX15
SCHEMBL2250227 0.80 SMN1; SMN2 (0.52) SMN1; SMN2ENPP2HSD17B10KDM4EMAPT
SCHEMBL465800 0.78 SMN1; SMN2 (0.56) SMN1; SMN2ENPP2CXCR4HTTMAPT
SCHEMBL13551047 0.75 SMN1; SMN2 (0.69) SMN1; SMN2ENPP2CXCR4HTTALOX15
SCHEMBL20605747 0.75 SMN1; SMN2 (0.69) SMN1; SMN2ENPP2CXCR4HTTALOX15
Trifluoroacetic Acid SCHEMBL465779 0.75 SMN1; SMN2 (0.75) SMN1; SMN2ENPP2CXCR4ALOX15HRH3
SCHEMBL2250240 0.75 SMN1; SMN2 (0.63) SMN1; SMN2ENPP2CXCR4HTTALOX15
SCHEMBL1419909 0.74 SMN1; SMN2 (0.67) SMN1; SMN2ENPP2CXCR4HTTALOX15
SCHEMBL12654050 0.74 SMN1; SMN2 (0.67) SMN1; SMN2ENPP2CXCR4HTTALOX15

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-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
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-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
CN-1293057-C Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-03 CN disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
CN-1438993-A Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2003-08-27 CN 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 (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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S SMN1; SMN2 763/4885ENPP2 3621/4885CXCR4 284/4885
US-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 SMN1; SMN2 3201/4885ENPP2 449/4885CXCR4 1024/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 SMN1; SMN2 3201/4885ENPP2 449/4885CXCR4 1024/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 SMN1; SMN2 4577/4885ENPP2 301/4885CXCR4 1074/4885

“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.