SCHEMBL741512

SCHEMBL741512

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 1/20 0.40
TSHR P16473 2/20 0.39
EPHX1 P07099 1/20 0.39
NR1H2 P55055 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
GPR183 P32249 1/20 0.36
RECQL P46063 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL25034617 0.85 USP2 (0.45) USP2SMN1; SMN2EPHX2TSHREPHX1
SCHEMBL4693197 0.85 USP2 (0.40) USP2SMN1; SMN2EPHX2TSHRHPGD
SCHEMBL2892960 0.82 USP2 (0.47) USP2SMN1; SMN2EPHX2TSHREPHX1
SCHEMBL18587326 0.81 USP2 (0.46) USP2SMN1; SMN2EPHX2TSHREPHX1
SCHEMBL2110103 0.78 USP2 (0.47) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL4690324 0.78 USP2 (0.44) USP2SMN1; SMN2EPHX2EPHX1NR1H2
SCHEMBL20001490 0.78 USP2 (0.44) USP2SMN1; SMN2EPHX2EPHX1HPGD
SCHEMBL7096473 0.78 TLR8 (0.35) USP2SMN1; SMN2ATMALDH1A1GPR119
SCHEMBL2110226 0.77 USP2 (0.49) USP2SMN1; SMN2EPHX2TSHREPHX1
SCHEMBL1973674 0.77 USP2 (0.49) USP2SMN1; SMN2EPHX2TSHREPHX1

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 17 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-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
CN-1293057-C Ethylenediamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-03 CN 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
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 (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 USP2 4389/4885SMN1; SMN2 3201/4885EPHX2 487/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 USP2 4389/4885SMN1; SMN2 3201/4885EPHX2 487/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 USP2 4317/4885SMN1; SMN2 4577/4885EPHX2 291/4885

“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.