Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Piperidine. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 1/20 | 0.36 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 3/20 | 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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL2418231 | 0.97 | ALDH1A1 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| Piperazine SCHEMBL1128189 | 0.94 | CXCR4 (0.53) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| Pyrazine SCHEMBL4071877 | 0.94 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| Pyrazine SCHEMBL28417538 | 0.90 | CXCR4 (0.60) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| Piperazine SCHEMBL27552148 | 0.87 | HIF1A (0.50) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| Piperidine SCHEMBL8000110 | 0.84 | ALDH1A1 (0.45) | ALDH1A1CXCR4SMN1; SMN2HIF1AMAPT | |
| Piperidine SCHEMBL2420379 | 0.82 | ALDH1A1 (0.50) | ALDH1A1CXCR4SMN1; SMN2ADRB2NCF1 | |
| Piperidine SCHEMBL1411958 | 0.82 | MEN1 (0.50) | ALDH1A1SMN1; SMN2ADRB2NCF1PLD1 | |
| Piperidine SCHEMBL28040221 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CXCR4SMN1; SMN2ADRB2NCF1 | |
| Piperidine SCHEMBL27535943 | 0.80 | ALDH1A1 (0.47) | ALDH1A1CXCR4SMN1; SMN2ADRB2NCF1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1858888-B1 | HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | MERCK SHARP & DOHME (US) | 2013-04-17 | — | — | EP | 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 |
| CN-101189225-A | Heteroaryl substituted pyrazinyl-piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORP (US) | 2008-05-28 | — | — | CN | disclosed |
| EP-1858888-A2 | HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2007-11-28 | — | — | EP | 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 |
| WO-2006091428-A2 | HETEROARYL SUBSTITUTED PYRAZINYL-PIPERAZINE-PIPERIDINES WITH CXCR3 ANTAGONIST ACTIVITY | SCHERING CORPORATION (US) | 2006-08-31 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060276448-A1 | Heteroaryl substituted pyrazinyl-piperazine-piperidines with CXCR3 antagonist activity | CXCR3, CCR5, CXCR1 | ALDH1A1 675/4885CXCR4 9/4885SMN1; SMN2 3228/4885 |
“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.