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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B known ✓ | Q13224 | 16/20 | 0.79 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL20190658 | 1.00 | GRIN2B (0.79) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189868 | 0.97 | GRIN2B (0.83) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189867 | 0.97 | GRIN2B (0.83) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189952 | 0.95 | GRIN2B (0.82) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189949 | 0.95 | GRIN2B (0.82) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189855 | 0.92 | GRIN2B (0.86) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20189854 | 0.92 | GRIN2B (0.86) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20191014 | 0.91 | GRIN2B (0.95) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL18280953 | 0.91 | GRIN2B (0.95) | GRIN2BKCNH2CYP2D6 | |
| SCHEMBL20191017 | 0.91 | GRIN2B (0.95) | GRIN2BKCNH2CYP2D6 |
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-11752155-B2 | Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders | RUGEN HOLDINGS (CAYMAN) LIMITED (KY) | 2023-09-12 | — | — | US | disclosed |
| US-20210220365-A1 | TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS | RUGEN HOLDINGS (CAYMAN) LIMITED (KY) | 2021-07-22 | — | — | US | disclosed |
| US-11000526-B2 | Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders | RUGEN HOLDINGS (CAYMAN) LIMITED (KY) | 2021-05-11 | — | — | US | disclosed |
| US-20190298725-A1 | TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS | RUGEN HOLDINGS (CAYMAN) LIMITED (KY) | 2019-10-03 | — | — | US | disclosed |
| EP-3544610-A1 | TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS | Rugen Holdings (Cayman) Limited (KY) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018098128-A1 | TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS | RUGEN HOLDINGS (CAYMAN) LIMITED (KY) | 2018-05-31 | — | — | 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-11000526-B2 | Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders | GRIN2A, GRIN1, GRIN2B | GRIN2B 3/4885KCNH2 2849/4885CYP2D6 3997/4885 |
| US-20190298725-A1 | TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS | GRIN2A, GRIN1, GRIN2B | GRIN2B 3/4885KCNH2 2849/4885CYP2D6 3997/4885 |
| US-20210220365-A1 | TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS | GRIN2A, GRIN1, GRIN2B | GRIN2B 3/4885KCNH2 2849/4885CYP2D6 3997/4885 |
| US-11752155-B2 | Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders | GRIN2A, GRIN1, GRIN2B | GRIN2B 3/4885KCNH2 2849/4885CYP2D6 3997/4885 |
“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.