Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.47 |
| ▸ | HTR2A | P28223 | 5/20 | 0.45 |
| ▸ | HTR2C | P28335 | 4/20 | 0.45 |
| ▸ | HTR2B | P41595 | 4/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 5/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20090262 | 0.87 | SIGMAR1 (0.51) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| SCHEMBL17768530 | 0.86 | SIGMAR1 (0.64) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL17779079 | 0.84 | CFTR (0.51) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| SCHEMBL17778866 | 0.80 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BOPRD1 | |
| SCHEMBL17768496 | 0.77 | SIGMAR1 (0.52) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| SCHEMBL17778980 | 0.76 | SIGMAR1 (0.50) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| SCHEMBL11476179 | 0.76 | DRD2 (0.57) | SIGMAR1DRD2 | |
| SCHEMBL17778848 | 0.75 | SIGMAR1 (0.45) | SIGMAR1HTR2AHTR2CHTR2BOPRD1 | |
| SCHEMBL17779123 | 0.74 | SIGMAR1 (0.49) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| SCHEMBL17779070 | 0.74 | SIGMAR1 (0.44) | SIGMAR1HTR2AHTR2CHTR2BDRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-10407428-B2 | Spiro-isoquinoline-1,4′-piperidine compounds having multimodal activity against pain | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-09-10 | — | — | US | disclosed |
| US-20180111935-A1 | SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2018-04-26 | — | — | US | disclosed |
| US-20180111935-A1 | SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2018-04-26 | — | — | US | disclosed |
| EP-3221314-A1 | SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | Laboratorios Del. Dr. Esteve, S.A. (ES) | 2017-09-27 | — | — | EP | disclosed |
| WO-2016078770-A1 | SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2016-05-26 | — | — | WO | disclosed |
| WO-2016078770-A1 | SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2016-05-26 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10407428-B2 | Spiro-isoquinoline-1,4′-piperidine compounds having multimodal activity against pain | OPRD1, OPRK1, OPRL1 | SIGMAR1 5/4885HTR2A 93/4885HTR2C 69/4885 |
| US-20180111935-A1 | SPIRO-ISOQUINOLINE-1,4'-PIPERIDINE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | OPRD1, OPRK1, OPRL1 | SIGMAR1 5/4885HTR2A 93/4885HTR2C 68/4885 |
“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.