Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 5/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.53 |
| ▸ | TACR1 | P25103 | 6/20 | 0.51 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.49 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL982619 | 1.00 | CHRM3 (0.53) | CHRM3CHRM2TACR1PDCD1LG2CD274 | |
| SCHEMBL984598 | 1.00 | CHRM3 (0.53) | CHRM3CHRM2TACR1PDCD1LG2CD274 | |
| SCHEMBL15793583 | 0.92 | CHRM3 (0.55) | CHRM3CHRM2TACR1CYP1A2CYP3A4 | |
| SCHEMBL8340748 | 0.80 | DRD3 (0.58) | SIGMAR1DRD2DRD3 | |
| SCHEMBL20522860 | 0.79 | TACR1 (0.48) | CHRM3CHRM2TACR1SIGMAR1DRD2 | |
| SCHEMBL2659902 | 0.79 | TACR1 (0.48) | CHRM3CHRM2TACR1SIGMAR1DRD2 | |
| SCHEMBL4585565 | 0.77 | LTA4H (0.60) | CHRM3CHRM2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL16996639 | 0.76 | TACR1 (0.51) | CHRM3CHRM2TACR1SIGMAR1ALDH1A1 | |
| SCHEMBL6491848 | 0.75 | LTA4H (0.65) | CHRM3CHRM2CYP2D6OPRM1OPRK1 | |
| SCHEMBL24649078 | 0.75 | LTA4H (0.57) | CHRM3CHRM2TACR1SIGMAR1DRD2 |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2098526-B1 | Nitrogen-containing bicyclic compounds active on chronic pain conditions | NEUROTUNE AG (CH) | 2014-01-15 | — | — | EP | disclosed |
| US-8334286-B2 | Substituted pyrrolo[1,2-A] pyrazines, compositions containing these, processes of making these, and uses thereof | NEUROTUNE AG (CH) | 2012-12-18 | — | — | US | disclosed |
| US-20110015200-A1 | NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS | NEUROTUNE AG (CH) | 2011-01-20 | — | — | US | disclosed |
| EP-2098526-A1 | Nitrogen-containing bicyclic compounds active on chronic pain conditions | Neurotune AG (CH) | 2009-09-09 | — | — | EP | disclosed |
| WO-2009103176-A1 | NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS | NEUROTUNE AG (CH) | 2009-08-27 | — | — | 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-20110015200-A1 | NITROGEN-CONTAINING BYCYCLIC COMPOUNDS ACTIVE ON CHRONIC PAIN CONDITIONS | OPRL1, CNR1, OPRK1 | CHRM3 277/4885CHRM2 522/4885TACR1 416/4885 |
“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.