Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A9 | P48067 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL621045 | 0.88 | ALDH1A1 (0.34) | L3MBTL1POLBGAAAGBL2KDM4E | |
| Hydrochloric Acid SCHEMBL622126 | 0.86 | ALDH1A1 (0.33) | L3MBTL1POLBGAAAGBL2KDM4E | |
| SCHEMBL4821366 | 0.75 | KDM4E (0.36) | POLBGAAAGBL2KDM4EALDH1A1 | |
| SCHEMBL10100734 | 0.75 | — | — | |
| SCHEMBL30590165 | 0.74 | ASIC3 (0.42) | POLBALDH1A1 | |
| SCHEMBL714493 | 0.74 | ASIC3 (0.42) | POLBALDH1A1 | |
| SCHEMBL30624154 | 0.74 | ASIC3 (0.42) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1119771 | 0.73 | ASIC3 (0.41) | POLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL30331765 | 0.73 | ASIC3 (0.41) | POLBALDH1A1 | |
| Hydrochloric Acid SCHEMBL1119948 | 0.73 | ASIC3 (0.41) | POLBALDH1A1 |
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-20130060038-A1 | PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES | HOFFMANN-LA ROCHE INC. (US) | 2013-03-07 | — | — | US | disclosed |
| US-20120041205-A1 | PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES | PFLEGER CHRISTOPHE (FR) | 2012-02-16 | — | — | US | disclosed |
| EP-2225202-B1 | Preparation of dihydropyrrol derivatives as intermediates | HOFFMANN LA ROCHE (CH) | 2011-12-28 | — | — | EP | disclosed |
| EP-2225202-A2 | PROCESS FOR THE PREPARATION OF ISOINDOLE DERIVATIVES AS WELL AS A PROCESS FOR THE PREPARATION OF THEIR INTERMEDIATES | F. Hoffmann-La Roche AG (CH) | 2010-09-08 | — | — | EP | disclosed |
| WO-2009068463-A2 | PROCESS FOR THE PREPARATION OF ISOINDOLE DERIVATIVES AS WELL AS A PROCESS FOR THE PREPARATION OF THEIR INTERMEDIATES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-04 | — | — | WO | disclosed |
| US-20090143589-A1 | Preparation of dihydropyrrol derivatives as intermediates | ROCHE PALO ALTO LLC | 2009-06-04 | — | — | 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-20090143589-A1 | Preparation of dihydropyrrol derivatives as intermediates | DHPS, QDPR, SDHA | SLC6A9 1815/4885LMNA 3552/4885HTT 290/4885 |
| US-20120041205-A1 | PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES | DHPS, QDPR, SDHA | SLC6A9 1815/4885LMNA 3552/4885HTT 290/4885 |
| US-20130060038-A1 | PREPARATION OF DIHYDROPYRROL DERIVATIVES AS INTERMEDIATES | DHPS, QDPR, SDHA | SLC6A9 1815/4885LMNA 3552/4885HTT 290/4885 |
“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.