Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Roxindole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A known ✓ | P08908 | 2/20 | 0.88 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.88 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.88 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.88 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.88 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.88 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.88 |
| ▸ | MAPT | P10636 | 1/20 | 0.88 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.88 |
| ▸ | TSHR | P16473 | 1/20 | 0.88 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.88 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.70 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.70 |
| ▸ | APEX1 | P27695 | 1/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| Roxindole SCHEMBL29489916 | 1.00 | TDP1 (0.88) | TDP1HTR1ACYP1A2CYP3A4MAPT | |
| Roxindole SCHEMBL49673 | 0.94 | TDP1 (1.00) | TDP1HTR1ACYP1A2CYP3A4MAPT | |
| Roxindole SCHEMBL5605611 | 0.94 | TDP1 (1.00) | TDP1HTR1ACYP1A2CYP3A4MAPT | |
| Roxindole SCHEMBL5453647 | 0.93 | TDP1 (0.98) | TDP1HTR1ACYP1A2CYP3A4MAPT | |
| SCHEMBL10429999 | 0.87 | HTR1A (0.68) | TDP1HTR1ACYP1A2CYP3A4MAPT | |
| SCHEMBL10355142 | 0.86 | TDP1 (0.85) | TDP1HTR1ACYP1A2CYP3A4MAPT | |
| SCHEMBL10412381 | 0.85 | HTR1A (0.79) | TDP1HTR1ACYP1A2CYP3A4MAPT | |
| Carmoxirole SCHEMBL5606162 | 0.83 | TDP1 (0.98) | TDP1HTR1ACYP1A2CYP3A4MAPT | |
| Carmoxirole SCHEMBL146312 | 0.83 | TDP1 (0.98) | TDP1HTR1ACYP1A2CYP3A4MAPT | |
| Carmoxirole SCHEMBL31723392 | 0.83 | TDP1 (0.98) | TDP1HTR1ACYP1A2CYP3A4MAPT |
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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011126937-A1 | TARGETED INTRACELLULAR DELIVERY OF OLIGONUCLEOTIDES VIA CONJUGATION WITH SMALL MOLECULE LIGANDS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2011-10-13 | — | — | WO | claimed |
| US-4711893-A | Use of hydroxyindole derivatives in lowering blood pressure | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-12-08 | — | — | US | claimed |
| WO-2012170599-A1 | NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION | BRAINCELLS, INC. (US) | 2012-12-13 | — | — | WO | disclosed |
| US-20110319386-A1 | NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION | BRAINCELLS INC. (US) | 2011-12-29 | — | — | US | disclosed |
| US-20110269717-A1 | NEUROGENESIS BY MODULATING ANGIOTENSIN | BRAINCELLS INC. (US) | 2011-11-03 | — | — | US | disclosed |
| EP-2382975-A2 | Neurogenesis by modulating angiotensin | Braincells, Inc. (US) | 2011-11-02 | — | — | EP | disclosed |
| EP-2377530-A2 | Modulation of neurogenesis by PDE inhibition | Braincells, Inc. (US) | 2011-10-19 | — | — | EP | disclosed |
| EP-2377531-A2 | Neurogenesis by modulating angiotensin | Braincells, Inc. (US) | 2011-10-19 | — | — | EP | disclosed |
| WO-2011126937-A1 | TARGETED INTRACELLULAR DELIVERY OF OLIGONUCLEOTIDES VIA CONJUGATION WITH SMALL MOLECULE LIGANDS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2011-10-13 | — | — | WO | disclosed |
| US-7998971-B2 | 2-(2-oxopyrrolidin- 1 -yl)-N-(2,3 -dimethyl-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-4-yl)acetoamide (MKC-231) and a second active ingredient for treating central or peripheral nervous system disorders increase neurogenesis; synergistic; drug addiction, psychological disorders, transplant rejection | BRAINCELLS INC. (US) | 2011-08-16 | — | — | US | disclosed |
| WO-2011091033-A1 | MODULATION OF NEUROGENESIS BY PPAR AGENTS | BRAINCELLS, INC. (US) | 2011-07-28 | — | — | WO | disclosed |
| US-20070049576-A1 | NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION | BRAINCELLS, INC. (US) | 2007-03-01 | — | — | US | disclosed |
| EP-1620083-A2 | COMBINATION THERAPIES | Pharmacia & Upjohn Company LLC (US) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004091596-A2 | COMBINATION THERAPIES FOR CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-10-28 | — | — | WO | disclosed |
| US-20040209916-A1 | Combination therapies | PFIZER INC | 2004-10-21 | — | — | US | disclosed |
| EP-1397134-A2 | COMBINATION OF A DOPAMINE D2-RECEPTOR AGONIST AND TIOTROPIUM OR A DERIVATIVE THEROF FOR TREATING OBSTRUCTIVE AIRWAYS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002096422-A2 | COMBINATION OF A DOPAMINE D2-RECEPTOR AGONIST AND TIOTROPIUM OR A DERIVATIVE THEREOF FOR TREATING OBSTRUCTIVE AIRWAYS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-12-05 | — | — | WO | disclosed |
| US-4914114-A | 3-[4-(4-phenyl-1,2,3,6-tetrahydro-1-pyridyl)butyl]-5-hydroxy-indole methanesulfonate having sedating and anti-parkinsonism properties | MERCK PATENT GESELLSCHAFT MIT BRESCHRANKTER HAFTUNG (DE) | 1990-04-03 | — | — | US | disclosed |
| US-4914114-A | 3-[4-(4-phenyl-1,2,3,6-tetrahydro-1-pyridyl)butyl]-5-hydroxy-indole methanesulfonate having sedating and anti-parkinsonism properties | MERCK PATENT GESELLSCHAFT MIT BRESCHRANKTER HAFTUNG (DE) | 1990-04-03 | — | — | US | disclosed |
| US-4711893-A | Use of hydroxyindole derivatives in lowering blood pressure | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-12-08 | — | — | 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 (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-20110319386-A1 | NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION | CHRNB2, CHAT, CHRNB4 | HTR1A 486/4885DRD2 1528/4885DRD4 1926/4885 |
| US-20040209916-A1 | Combination therapies | ADRA2C, ADRB2, ADRA2A | HTR1A 87/4885DRD2 46/4885DRD4 88/4885 |
| US-20110269717-A1 | NEUROGENESIS BY MODULATING ANGIOTENSIN | NGF, DCX, BDNF | HTR1A 1265/4885DRD2 2428/4885DRD4 1701/4885 |
| US-20070049576-A1 | NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION | CHRNB2, CHAT, CHRNB4 | HTR1A 486/4885DRD2 1528/4885DRD4 1926/4885 |
“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.