Lithium Ion

Lithium Ion

SCHEMBL1504295

CC(C)(C)OC(=O)N1Cc2nc(C(=O)[O-])sc2C1.[Li+]

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.39
GRAMD1A Q96CP6 1/20 0.39
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GCK P35557 3/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
F10 P00742 2/20 0.34
P2RX3 P56373 3/20 0.33
NR1H2 P55055 1/20 0.33
MKNK1 Q9BUB5 2/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32

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 SCHEMBL210376 0.89 GRAMD1A (0.50) ADORA1GRAMD1AMAPTKDM4EGCK
SCHEMBL12035965 0.86 ADORA1 (0.46) ADORA1GRAMD1AMAPTKDM4EUSP2
SCHEMBL1504298 0.85 ADORA1 (0.45) ADORA1GRAMD1AMAPTKDM4EUSP2
SCHEMBL26092447 0.81 ADORA1 (0.51) ADORA1GRAMD1AKDM4ESMN1; SMN2P2RX3
SCHEMBL741730 0.81 ADORA1 (0.42) ADORA1GRAMD1AMAPTKDM4EUSP2
SCHEMBL741852 0.80 ADORA1 (0.47) ADORA1GRAMD1AMAPTKDM4EUSP2
SCHEMBL26094092 0.77 ADORA1 (0.40) ADORA1GRAMD1AMAPTKDM4EUSP2
Lithium Ion SCHEMBL743523 0.76
SCHEMBL741444 0.75 ADORA1 (0.55) ADORA1GRAMD1AMAPTKDM4EGCK
Lithium Ion SCHEMBL742463 0.75 F10 (0.36) F10

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 21 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
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-20090270446-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-29 US disclosed
US-7365205-B2 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 SANKYO COMPANY, LIMITED (JP) 2008-04-29 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
US-20080015215-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-17 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-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 (11 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-20090270446-A1 DIAMINE DERIVATIVES F2, TFPI, F3 ADORA1 486/4885GRAMD1A 3853/4885MAPT 4302/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL ADORA1 2074/4885GRAMD1A 2501/4885MAPT 1834/4885
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 2645/4885MAPT 4451/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R ADORA1 1667/4885GRAMD1A 2556/4885MAPT 4271/4885
US-20080015215-A1 DIAMINE DERIVATIVES C9, C1S, C1R ADORA1 1667/4885GRAMD1A 2556/4885MAPT 4271/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R ADORA1 1667/4885GRAMD1A 2556/4885MAPT 4271/4885
US-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R ADORA1 1479/4885GRAMD1A 2525/4885MAPT 4343/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 ADORA1 665/4885GRAMD1A 3671/4885MAPT 4007/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R ADORA1 1667/4885GRAMD1A 2556/4885MAPT 4271/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 ADORA1 486/4885GRAMD1A 3853/4885MAPT 4302/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R ADORA1 1864/4885GRAMD1A 2404/4885MAPT 4230/4885

“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.