Lithium Ion

Lithium Ion

SCHEMBL17847540

O=C([O-])CC(NCCNC1CCN(c2nccc3ccc(F)cc23)CC1)C1CCCCC1.[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 6)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ PAK1 Q13153 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ VCP P55072 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
SCHEMBL17865139 0.92 APLNR (0.37) IDO1OPRK1
SCHEMBL17865173 0.90 HDAC3 (0.40) IDO1PAK1OPRK1
SCHEMBL17847555 0.89 VCP (0.38) OPRK1VCP
SCHEMBL17847601 0.87 PDE10A (0.38) OPRK1
SCHEMBL19753629 0.86 OPRK1 (0.37) OPRK1
SCHEMBL19743155 0.79 CCNE1 (0.36) —
SCHEMBL17847631 0.75 ROCK2 (0.36) —
SCHEMBL17847596 0.75 ROCK2 (0.36) —
SCHEMBL17847626 0.74 MEN1 (0.38) —
SCHEMBL17844906 0.73 PAK1 (0.45) PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10369130-B2 Antibacterial compounds AZIEN DE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.p.A. (IT) 2019-08-06 — — US disclosed
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2017-12-28 — — US disclosed
EP-3233826-A1 NEW ANTIBACTERIAL COMPOUNDS Aziende Chimiche Riunite Angelini Francesco A.C.R. (IT) 2017-10-25 — — EP disclosed
WO-2016096631-A1 NEW ANTIBACTERIAL COMPOUNDS AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2016-06-23 — — 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 (2 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-10369130-B2 Antibacterial compounds MRPL21, CLPP, NRDC HTR7 4513/4885IDO1 3131/4885PAK1 1437/4885
US-20170368017-A1 ANTIBACTERIAL COMPOUNDS MRPL21, CLPP, NRDC HTR7 4513/4885IDO1 3131/4885PAK1 1437/4885

“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.

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