Lithium Ion

Lithium Ion

SCHEMBL381807

O=C([O-])CCCC1CCN(c2ccc(C(F)(F)F)cc2)CC1.[Li+]

nearest known ligand 0.50

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 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.50
CHRM2 P08172 2/20 0.47
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
DEGS1 O15121 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.44
AKR1C3 P42330 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
SLC6A9 P48067 1/20 0.42
SERPINE1 P05121 1/20 0.41
CHRM4 P08173 1/20 0.41

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 SCHEMBL382243 0.92 NOTUM (0.52) NOTUMCHRM2HRH4HRH3CA12
Lithium Ion SCHEMBL463205 0.87 HRH3 (0.46) HRH3CA12CA2CA9
SCHEMBL12042021 0.87 NOTUM (0.56) NOTUMCHRM2HRH4HRH3CA12
SCHEMBL381806 0.86 NOTUM (0.54) NOTUMCHRM2HRH4HRH3CA12
SCHEMBL381626 0.82 CHRM2 (0.48) NOTUMCHRM2HRH4HRH3CA12
SCHEMBL12042040 0.82 NOTUM (0.59) NOTUMCHRM2HRH4HRH3CA12
SCHEMBL382242 0.81 NOTUM (0.58) NOTUMCHRM2HRH4HRH3CA12
Lithium Ion SCHEMBL9983926 0.81 DRD2 (0.59) CA12CA2CA9SLC6A2SLC6A4
SCHEMBL15996808 0.80 ADAMTS5 (0.50) NOTUMCHRM2HRH4HRH3CA12
Lithium Ion SCHEMBL462265 0.79 HRH3 (0.48) HRH3CA12CA2CA9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096524-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2015-08-04 US disclosed
EP-2408742-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-09-03 EP disclosed
EP-2408742-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2012-01-25 EP disclosed
US-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-12-29 US disclosed
WO-2010115688-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-10-14 WO 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 (1 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-20110319393-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO NOTUM 157/4885CHRM2 2787/4885HRH4 92/4885

“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.