SCHEMBL1504298

SCHEMBL1504298

CC(C)(C)OC(=O)N1Cc2nc(C(=O)O)sc2C1.[LiH]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.45
GRAMD1A Q96CP6 1/20 0.39
F10 P00742 2/20 0.36
P2RX3 P56373 2/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
ESR2 Q92731 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
NR1H2 P55055 1/20 0.33
MKNK1 Q9BUB5 2/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL12035965 0.99 ADORA1 (0.46) ADORA1GRAMD1AF10P2RX3FABP4
SCHEMBL210375 0.88 ADORA1 (0.54) ADORA1GRAMD1AF10P2RX3FABP4
SCHEMBL741444 0.87 ADORA1 (0.55) ADORA1GRAMD1AF10P2RX3FABP4
Lithium Ion SCHEMBL1504295 0.85 ADORA1 (0.39) ADORA1GRAMD1AF10P2RX3MAPT
SCHEMBL26092447 0.82 ADORA1 (0.51) ADORA1GRAMD1AP2RX3KDM4ESMN1; SMN2
SCHEMBL741730 0.82 ADORA1 (0.42) ADORA1GRAMD1AP2RX3ESR2MAPT
SCHEMBL741852 0.81 ADORA1 (0.47) ADORA1GRAMD1AP2RX3MAPTKDM4E
SCHEMBL16794209 0.80 ADORA1 (0.47) ADORA1GRAMD1AF10FABP4FABP5
SCHEMBL26094092 0.78 ADORA1 (0.40) ADORA1GRAMD1AP2RX3MAPTKDM4E
SCHEMBL743524 0.76

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 26 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
CN-1826333-B Diamine derivatives DAIICHI SANKYO CO LTD 2012-12-26 CN 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
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
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
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
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 (9 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 ADORA1 2074/4885GRAMD1A 2501/4885F10 152/4885
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 ADORA1 1535/4885GRAMD1A 2645/4885F10 9/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R ADORA1 1667/4885GRAMD1A 2556/4885F10 196/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ADORA1 1667/4885GRAMD1A 2556/4885F10 196/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R ADORA1 1479/4885GRAMD1A 2525/4885F10 72/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 ADORA1 665/4885GRAMD1A 3671/4885F10 127/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ADORA1 1667/4885GRAMD1A 2556/4885F10 196/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 ADORA1 486/4885GRAMD1A 3853/4885F10 4/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ADORA1 1864/4885GRAMD1A 2404/4885F10 138/4885

“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.