Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 7/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | PRKCA | P17252 | 1/20 | 0.42 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5670076 | 0.80 | GRM5 (0.62) | GRM5CYP2A6HTR1AHTR7NPC1 | |
| SCHEMBL5077786 | 0.80 | CYP2A6 (0.59) | GRM5CYP2A6CYP2E1CYP2C9CYP2B6 | |
| SCHEMBL19670662 | 0.79 | CYP2A6 (0.76) | GRM5CYP2A6NPC1TP53PKM | |
| SCHEMBL5100815 | 0.79 | GRM5 (0.66) | GRM5HTR1AHTR7COMT | |
| SCHEMBL5078495 | 0.78 | CYP2A6 (0.57) | GRM5CYP2A6CYP2E1CYP2C9CYP2B6 | |
| Hydrochloric Acid SCHEMBL5103873 | 0.77 | GRM5 (0.64) | GRM5HTR1AHTR7COMT | |
| SCHEMBL24492855 | 0.77 | CYP2A6 (0.73) | GRM5CYP2A6NPC1TP53PKM | |
| SCHEMBL21168167 | 0.77 | CYP2A6 (0.73) | GRM5CYP2A6NPC1TP53PKM | |
| SCHEMBL11965543 | 0.77 | CYP2A6 (0.73) | GRM5CYP2A6NPC1TP53PKM | |
| SCHEMBL5100415 | 0.76 | GRM5 (0.63) | GRM5ABL1BCRNPC1PKM |
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-7393959-B2 | Di-aryl substituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK & CO. INC. (US) | 2008-07-01 | — | — | US | claimed |
| EP-1613265-A4 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2007-02-14 | — | — | EP | claimed |
| US-20060193926-A1 | Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK SHARP & DOHME CORP. | 2006-08-31 | — | — | US | claimed |
| CN-1794990-A | Diaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK & CO INC (US) | 2006-06-28 | — | — | CN | claimed |
| EP-1613265-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2006-01-11 | — | — | EP | claimed |
| WO-2004089308-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2004-10-21 | — | — | WO | claimed |
| US-7393959-B2 | Di-aryl substituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK & CO. INC. (US) | 2008-07-01 | — | — | US | disclosed |
| EP-1613265-A4 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2007-02-14 | — | — | EP | disclosed |
| US-20060193926-A1 | Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK SHARP & DOHME CORP. | 2006-08-31 | — | — | US | disclosed |
| CN-1794990-A | Diaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 | MERCK & CO INC (US) | 2006-06-28 | — | — | CN | disclosed |
| EP-1613265-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004089308-A2 | DI-ARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2004-10-21 | — | — | 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-20060193926-A1 | Di-arylsubstituted pyrrole modulators of metabotropic glutamate receptor-5 | GRM5, GRIK5, GRIN2B | GRM5 1/4885CYP2A6 1537/4885HTR1A 188/4885 |
“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.