Known targets — ChEMBL curated mechanism
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 10/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.35 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.35 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1319218 | 0.81 | CYP3A4 (0.50) | MAP4K4CYP3A4KDM4E | |
| SCHEMBL1013695 | 0.81 | PIK3CB (0.47) | MAP4K4IDO1KDM4EPLAU | |
| SCHEMBL11555230 | 0.81 | MAP4K4 (0.40) | MAP4K4IDO1SCN9ASCN2ASCN3A | |
| SCHEMBL31382687 | 0.79 | SCN9A (0.39) | MAP4K4IDO1SCN9ASCN2ASCN3A | |
| SCHEMBL915037 | 0.79 | CYP3A4 (0.48) | MAP4K4CYP3A4KDM4E | |
| Hydrochloric Acid SCHEMBL11549048 | 0.79 | CYP3A4 (0.48) | MAP4K4CYP3A4KDM4E | |
| SCHEMBL4869343 | 0.79 | SCN9A (0.39) | MAP4K4IDO1SCN9ASCN2ASCN3A | |
| SCHEMBL24405931 | 0.76 | SLC9A1 (0.39) | MAP4K4IDO1SCN9ASCN2ASCN3A | |
| SCHEMBL914850 | 0.75 | ABL1 (0.51) | KDM4E | |
| SCHEMBL3041580 | 0.75 | IDO1 (0.38) | MAP4K4IDO1SCN9ASCN2ASCN3A |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1848710-B1 | HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY | MERCK SHARP & DOHME (US) | 2013-10-16 | — | — | EP | disclosed |
| EP-1858888-B1 | HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | MERCK SHARP & DOHME (US) | 2013-04-17 | — | — | EP | disclosed |
| US-8207170-B2 | Heterocyclic substituted piperazines with CXCR3 antagonist activity | SCHERING CORPORATION (US) | 2012-06-26 | — | — | US | disclosed |
| EP-1858895-B1 | PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORP (US) | 2012-06-20 | — | — | EP | disclosed |
| US-8017616-B2 | Heterocyclic substituted pyridine compounds with CXCR3 antagonist activity | SCHERING CORPORATION (US) | 2011-09-13 | — | — | US | disclosed |
| EP-1853583-B1 | AMINE-LINKED PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORP (US) | 2011-09-07 | — | — | EP | disclosed |
| EP-1853587-B1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE OR PHENYL COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORP (US) | 2011-08-03 | — | — | EP | disclosed |
| US-20110065651-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2011-03-17 | — | — | US | disclosed |
| US-7879838-B2 | Chemokine receptor antagonists used for the treatment of inflammatory diseases, autoimmune diseases, transplant rejection, infectious diseases, drug sensitivity, ophthalmic inflammation, type I diabetes, viral meningitis and tumors | SCHERING CORPORATION (US) | 2011-02-01 | — | — | US | disclosed |
| US-7868006-B2 | Heterocyclic substituted piperazines with CXCR3 antagonist activity | SCHERING CORPORATION (US) | 2011-01-11 | — | — | US | disclosed |
| US-20060276457-A1 | Piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. | 2006-12-07 | — | — | US | disclosed |
| US-20060276480-A1 | 1-(3-Chloro,4-methylsulfonamidopyrid-2-yl),3-ethyl,4-((2-methoxy,4-chlorophenyl)-piperidin-4-yl)-piperazine; chemokine receptor antagonist; G-proteind coupled receptor inhibitors; antiinflammatory agents; psoriasis; antitumor/-carcinogenic agents; antidiabetic agents viricides; autoimmune diseases | Schering Corporation and | 2006-12-07 | — | — | US | disclosed |
| US-20060276448-A1 | Heteroaryl substituted pyrazinyl-piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. | 2006-12-07 | — | — | US | disclosed |
| US-20060276479-A1 | Heterocyclic substituted piperazines with CXCR3 antagonist activity | Schering Corporation and | 2006-12-07 | — | — | US | disclosed |
| US-20060217392-A1 | Novel heterocyclic substituted pyridine or phenyl compounds with CXCR3 antagonist activity | Schering Corporation and | 2006-09-28 | — | — | US | disclosed |
| WO-2006091428-A2 | HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-31 | — | — | WO | disclosed |
| WO-2006088920-A1 | AMINE-LINKED PYRIDYL AND PHENYL SUBSTITUTED PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | disclosed |
| WO-2006088840-A1 | NOVEL HETEROCYCLIC SUBSTITUTED PYRIDINE OR PHENYL COMPOUNDS WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | disclosed |
| WO-2006088836-A2 | PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | WO | disclosed |
| WO-2006088837-A2 | HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-24 | — | — | 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 (6 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060217392-A1 | Novel heterocyclic substituted pyridine or phenyl compounds with CXCR3 antagonist activity | CXCR3, CXCR1, ACKR3 | MAP4K4 2318/4885IDO1 156/4885SCN9A 2687/4885 |
| US-20060276479-A1 | Heterocyclic substituted piperazines with CXCR3 antagonist activity | CXCR3, CXCR1, CCR5 | MAP4K4 2032/4885IDO1 257/4885SCN9A 3022/4885 |
| US-20110065651-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINES WITH CXCR3 ANTAGONIST ACTIVITY | CXCR3, CXCR1, CCR5 | MAP4K4 2032/4885IDO1 257/4885SCN9A 3022/4885 |
| US-20060276480-A1 | 1-(3-Chloro,4-methylsulfonamidopyrid-2-yl),3-ethyl,4-((2-methoxy,4-chlorophenyl)-piperidin-4-yl)-piperazine; chemokine receptor antagonist; G-proteind coupled receptor inhibitors; antiinflammatory agents; psoriasis; antitumor/-carcinogenic agents; antidiabetic agents viricides; autoimmune diseases | CCR1, CCR5, FFAR1 | MAP4K4 723/4885IDO1 453/4885SCN9A 3549/4885 |
| US-20060276457-A1 | Piperazine-piperidines with CXCR3 antagonist activity | CXCR3, CCR5, CXCR1 | MAP4K4 2208/4885IDO1 210/4885SCN9A 2842/4885 |
| US-20060276448-A1 | Heteroaryl substituted pyrazinyl-piperazine-piperidines with CXCR3 antagonist activity | CXCR3, CCR5, CXCR1 | MAP4K4 2541/4885IDO1 150/4885SCN9A 3177/4885 |
“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.