Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.61 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.61 |
| ▸ | MLYCD | O95822 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.55 |
| ▸ | NOS2 | P35228 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15682814 | 0.87 | L3MBTL1 (0.60) | L3MBTL1NPC1RAB9AMLYCDALDH1A1 | |
| SCHEMBL249436 | 0.86 | L3MBTL1 (0.61) | L3MBTL1NPC1RAB9AMLYCDALDH1A1 | |
| SCHEMBL15682777 | 0.85 | NPC1 (0.59) | L3MBTL1NPC1RAB9AMLYCDALDH1A1 | |
| SCHEMBL30661718 | 0.83 | MLYCD (0.65) | L3MBTL1NPC1RAB9AFFAR1FFAR4 | |
| SCHEMBL15881788 | 0.82 | L3MBTL1 (0.64) | L3MBTL1NPC1RAB9AMLYCDALDH1A1 | |
| SCHEMBL4501943 | 0.82 | L3MBTL1 (0.64) | L3MBTL1NPC1RAB9AMLYCDALDH1A1 | |
| SCHEMBL13884195 | 0.82 | L3MBTL1 (0.64) | L3MBTL1NPC1RAB9AMLYCDALDH1A1 | |
| SCHEMBL27841358 | 0.82 | HTT (0.69) | FFAR1LMNAMAPK14HTT | |
| SCHEMBL24713109 | 0.82 | MLYCD (0.67) | L3MBTL1NPC1RAB9AMLYCDMEN1 | |
| SCHEMBL7367746 | 0.81 | MLYCD (0.56) | L3MBTL1NPC1RAB9AMLYCDALDH1A1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8367700-B2 | Substituted 4-(1.2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators | GRUENENTHAL GMBH (DE) | 2013-02-05 | — | — | US | disclosed |
| CN-102256947-A | Substituted 4-(1,2,3,4-tetrahydroisochinolin-2-yl)-4-oxo-butyric acid amide as kcnq2/2 modulators | GRUENENTHAL GMBH | 2011-11-23 | — | — | CN | disclosed |
| US-8017772-B2 | Substituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain | GRUENENTHAL GMBH (DE) | 2011-09-13 | — | — | US | disclosed |
| US-20100152234-A1 | Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators | GRUNENTHAL GMBH (DE) | 2010-06-17 | — | — | US | disclosed |
| US-20100105722-A1 | Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators | GRUENENTHAL GMBH (DE) | 2010-04-29 | — | — | US | disclosed |
| US-20100004252-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN | GRUENENTHAL GMBH (DE) | 2010-01-07 | — | — | US | disclosed |
| US-7625900-B2 | Sutstituted tetrahydropyrrolopyrazine compounds and the use thereof in the treatment and/or inhibition of pain | GRUENENTHAL GMBH (DE) | 2009-12-01 | — | — | US | disclosed |
| EP-2112993-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS HAVING AFFINITY WITH THE KCNQ2/3 K+ CHANNEL AND USE THEREOF IN MEDICAMENTS | Grünenthal GmbH (DE) | 2009-11-04 | — | — | EP | disclosed |
| CN-101547925-A | For KCNQ2/3K+Substituted tetrahydropyrrolopyrazine compounds with channel affinity and their use in medicine | GRUENENTHAL GMBH (DE) | 2009-09-30 | — | — | CN | disclosed |
| US-20080167315-A1 | Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain | GRUENENTHAL GMBH (DE) | 2008-07-10 | — | — | US | disclosed |
| WO-2008046582-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS HAVING AFFINITY WITH THE KCNQ2/3 K+ CHANNEL AND USE THEREOF IN MEDICAMENTS | Grünenthal GmbH (DE) | 2008-04-24 | — | — | 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 (4 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-20100004252-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT AND/OR INHIBITION OF PAIN | KCNQ2, KCNQ1, KCNJ2 | L3MBTL1 3956/4885NPC1 2051/4885RAB9A 3709/4885 |
| US-20100152234-A1 | Substituted 4-(1,2,3,4-tetrahydroisoquinolin-2-yl)-4-oxobutyric acid amide as KCNQ2/3 modulators | KCNAB1, KCNQ2, KCNQ1 | L3MBTL1 3551/4885NPC1 2294/4885RAB9A 2908/4885 |
| US-20100105722-A1 | Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators | KCNQ1, KCNQ3, KCNQ2 | L3MBTL1 2790/4885NPC1 1484/4885RAB9A 1673/4885 |
| US-20080167315-A1 | Substituted Tetrahydropyrrolopyrazine Compounds and the Use Thereof in the Treatment and/or Inhibition of Pain | KCNQ2, KCNQ1, KCNJ2 | L3MBTL1 3956/4885NPC1 2051/4885RAB9A 3709/4885 |
“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.