SCHEMBL741667

SCHEMBL741667

CCOC(=O)N1CCc2ncsc2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 4/20 0.49
RXFP1 Q9HBX9 3/20 0.49
MAPT P10636 6/20 0.45
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 1/20 0.43
GRM5 P41594 1/20 0.43
PDE4D Q08499 2/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL550104 0.90 DRD2 (0.50) MAPK1KDM4ERXFP1MAPTGAA
SCHEMBL30513280 0.88 MAPK1 (0.55) MAPK1KDM4ERXFP1MAPTGAA
SCHEMBL30513269 0.87 MAPK1 (0.63) MAPK1KDM4ERXFP1MAPTGRM5
SCHEMBL16765902 0.82 MEN1 (0.53) MAPK1MAPTGAANPSR1SMN1; SMN2
SCHEMBL30916184 0.82 MAPK1 (0.58) MAPK1KDM4EMAPTGRM5
SCHEMBL741598 0.82 MAPK1 (0.58) MAPK1KDM4EMAPTGRM5
SCHEMBL28474185 0.79 MAPK1 (0.68) MAPK1GRM5DRD2DRD3
SCHEMBL4052245 0.78 MAPK1 (0.67) MAPK1GRM5DRD2DRD3
SCHEMBL1016251 0.77 HTT (0.48) KDM4ERXFP1MAPTGAASMN1; SMN2
SCHEMBL13494215 0.76 MAPT (0.49) KDM4ERXFP1MAPTGAANPSR1

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 39 patents — showing the first 20. 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-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 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-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP 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 (7 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 MAPK1 1349/4885KDM4E 740/4885RXFP1 389/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 MAPK1 2214/4885KDM4E 3761/4885RXFP1 2352/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R MAPK1 1864/4885KDM4E 3971/4885RXFP1 3086/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R MAPK1 1864/4885KDM4E 3971/4885RXFP1 3086/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MAPK1 1864/4885KDM4E 3971/4885RXFP1 3086/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R MAPK1 1758/4885KDM4E 3759/4885RXFP1 2885/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 MAPK1 987/4885KDM4E 645/4885RXFP1 255/4885

“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.