Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.62 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.62 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.62 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.62 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.62 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.62 |
| ▸ | PRCP | P42785 | 1/20 | 0.62 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.62 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.62 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.62 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.62 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.62 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.62 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.62 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.60 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.60 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317077 | 0.98 | SIGMAR1 (0.65) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL16111935 | 0.87 | SIGMAR1 (0.62) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL9129525 | 0.86 | SIGMAR1 (0.65) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL17444425 | 0.83 | CYP2D6 (0.53) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL19634059 | 0.80 | GRIN1 (0.84) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL19631679 | 0.80 | SIGMAR1 (0.53) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL28282384 | 0.79 | GRIN1 (0.88) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| Phencyclidine SCHEMBL28239746 | 0.78 | GRIN1 (0.86) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 | |
| SCHEMBL11738755 | 0.78 | OPRL1 (0.69) | SIGMAR1OPRM1OPRL1POLBTSHR | |
| SCHEMBL5698821 | 0.77 | SIGMAR1 (0.61) | SIGMAR1GRIN2DGRIN3BCYP2B6SLC6A2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9206156-B2 | Substituted indole derivatives | Grünenthal GmbH (DE) | 2015-12-08 | — | — | US | disclosed |
| CN-102015683-B | The indole derivatives replaced | GRUNENTHAL GMBH (DE) | 2015-08-05 | — | — | CN | disclosed |
| EP-2254883-B1 | SUBSTITUTED INDOLE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2014-11-26 | — | — | EP | disclosed |
| US-20130116283-A1 | Substituted indole derivatives | Grünenthal GmbH (DE) | 2013-05-09 | — | — | US | disclosed |
| EP-2356101-B1 | PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN | GRUENENTHAL GMBH (DE) | 2013-02-27 | — | — | EP | disclosed |
| US-8269000-B2 | Substituted pyrimidine and triazine compounds | GRUENENTHAL GMBH (DE) | 2012-09-18 | — | — | US | disclosed |
| EP-2356101-A1 | PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN | Grünenthal GmbH (DE) | 2011-08-17 | — | — | EP | disclosed |
| EP-2254883-A1 | SUBSTITUTED INDOLE DERIVATIVES | Grünenthal GmbH (DE) | 2010-12-01 | — | — | EP | disclosed |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | GRUENENTHAL GMBH (DE) | 2010-07-08 | — | — | US | disclosed |
| WO-2010046109-A1 | PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN | Grünenthal GmbH (DE) | 2010-04-29 | — | — | WO | disclosed |
| WO-2009103552-A1 | SUBSTITUTED INDOLE DERIVATIVES | Grünenthal GmbH (DE) | 2009-08-27 | — | — | WO | disclosed |
| US-20090215828-A1 | Substituted indole derivatives | GRUNENTHAL GMBH (DE) | 2009-08-27 | — | — | US | 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 (3 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-20090215828-A1 | Substituted indole derivatives | IDO1, IDO2, TPH1 | SIGMAR1 235/4885GRIN2D 1547/4885GRIN3B 1785/4885 |
| US-20100173889-A1 | Substituted Pyrimidine and Triazine Compounds | ADORA2B, CCNB1, TYMS | SIGMAR1 1220/4885GRIN2D 2461/4885GRIN3B 2286/4885 |
| US-20130116283-A1 | Substituted indole derivatives | IDO1, IDO2, TPH1 | SIGMAR1 235/4885GRIN2D 1547/4885GRIN3B 1785/4885 |
“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.