SCHEMBL1504035

SCHEMBL1504035

CN(C(=O)OC(C)(C)C)C1CCc2nc(C(=O)O)sc2C1.[LiH]

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
PDK1 Q15118 2/20 0.34
SCN4A P35499 1/20 0.34
MAPT P10636 2/20 0.32
SCN5A Q14524 1/20 0.32
SCN3A Q9NY46 1/20 0.32
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK2A1 P68400 1/20 0.32
SPR P35270 1/20 0.32
KDM4D Q6B0I6 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
TP53 P04637 1/20 0.31

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
Lithium Ion SCHEMBL1504034 0.87 DRD2 (0.34) DRD2DRD3PDK1SCN4AMAPT
SCHEMBL29840403 0.84 DRD2 (0.36) DRD2DRD3PDK1SCN4AMAPT
SCHEMBL3310859 0.83 DRD2 (0.36) DRD2DRD3PDK1SCN4AMAPT
SCHEMBL1503760 0.82 DRD2 (0.40) DRD2DRD3PDK1NPC1RAB9A
SCHEMBL12035209 0.81 DRD2 (0.41) DRD2DRD3PDK1NPC1RAB9A
SCHEMBL27902905 0.75 SCN3A (0.41) DRD2PDK1SCN4AMAPTSCN5A
SCHEMBL740636 0.73 DRD2 (0.36) DRD2DRD3PDK1NPC1RAB9A
SCHEMBL31563886 0.73 ALDH1A1 (0.43) MAPTHSD11B1NPC1RAB9ASMN1; SMN2
SCHEMBL31564369 0.72 HSD11B1 (0.34) MAPTHSD11B1SMN1; SMN2SPRKDM4D
SCHEMBL31564116 0.72 HSD11B1 (0.32) MAPTHSD11B1SMN1; SMN2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
CN-1751025-B Diamine derivatives DAIICHI SEIYAKU CO 2010-05-12 CN disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 US disclosed
CN-1894238-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2007-01-10 CN 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
CN-1826333-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-08-30 CN disclosed
CN-1751025-A Diamine derivatives DAIICHI SEIYAKU CO (JP) 2006-03-22 CN disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL DRD2 1524/4885DRD3 1542/4885PDK1 187/4885
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 DRD2 962/4885DRD3 741/4885PDK1 1005/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R DRD2 351/4885DRD3 353/4885PDK1 696/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R DRD2 351/4885DRD3 353/4885PDK1 696/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R DRD2 351/4885DRD3 353/4885PDK1 696/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R DRD2 229/4885DRD3 218/4885PDK1 628/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 DRD2 352/4885DRD3 336/4885PDK1 753/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R DRD2 351/4885DRD3 353/4885PDK1 696/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 DRD2 1376/4885DRD3 1671/4885PDK1 317/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R DRD2 352/4885DRD3 318/4885PDK1 846/4885

“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.