Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 4/20 | 0.46 |
| ▸ | ADRA2A known ✓ | P08913 | 4/20 | 0.46 |
| ▸ | SLC6A4 known ✓ | P31645 | 4/20 | 0.46 |
| ▸ | SLC6A3 known ✓ | Q01959 | 4/20 | 0.46 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.46 |
| ▸ | ADRA1A known ✓ | P35348 | 2/20 | 0.46 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.46 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.46 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.39 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.55 |
| ▸ | DRD1 | P21728 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HRH1 | P35367 | 3/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL20591841 | 1.00 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| Bromide SCHEMBL3252964 | 1.00 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL29635663 | 0.97 | — | — | |
| SCHEMBL364 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9114387 | 0.95 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL29214507 | 0.95 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| Hydrochloric Acid SCHEMBL31308676 | 0.95 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| Water SCHEMBL28870924 | 0.95 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| SCHEMBL6260224 | 0.95 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 | |
| Hydrochloric Acid SCHEMBL3529241 | 0.95 | CYP2D6 (0.55) | CYP2D6CYP2C19CHRM2ADRA2ADRD1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9676703-B2 | Production method for 3,3-dimethyl-3,4-dihydro-1H-quinoxalin-2-one derivative and intermediate for said production method | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2017-06-13 | — | — | US | claimed |
| US-20160200690-A1 | PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2016-07-14 | — | — | US | claimed |
| EP-3031802-A1 | PRODUCTION METHOD FOR 3, 3-DIMETHYL-3, 4-DIHYDRO-1H-QUINOXALINE-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD | Santen Pharmaceutical Co., Ltd (JP) | 2016-06-15 | — | — | EP | claimed |
| US-20170247342-A1 | PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2017-08-31 | — | — | US | disclosed |
| US-9676703-B2 | Production method for 3,3-dimethyl-3,4-dihydro-1H-quinoxalin-2-one derivative and intermediate for said production method | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2017-06-13 | — | — | US | disclosed |
| US-20160200690-A1 | PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2016-07-14 | — | — | US | disclosed |
| EP-3031802-A1 | PRODUCTION METHOD FOR 3, 3-DIMETHYL-3, 4-DIHYDRO-1H-QUINOXALINE-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD | Santen Pharmaceutical Co., Ltd (JP) | 2016-06-15 | — | — | EP | disclosed |
| CN-105473557-A | Process for producing 3, 3-dimethyl-3, 4-dihydro-1H-quinoxalin-2-one derivative and intermediate for the production process | SANTEN PHARMACEUTICAL CO LTD | 2016-04-06 | — | — | CN | disclosed |
| EP-2231676-A1 | (E)-N-{3-[1-(8-FLUORO-11H-10-OXA-1-AZA-DIBENZO[A,D]-CYCL0HEPTEN-5YLIDENE)-PROPYL]-PHENYL }-METHYNSULFON AMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID | Eli Lilly & Company (US) | 2010-09-29 | — | — | EP | disclosed |
| EP-2184989-A1 | COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES | Divergence, Inc. (US) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009089312-A1 | (E)-N-{3- [1-(8-FLUORO-11H-10-OXA-1-AZA-DIBENZO [A,D] CYCL0HEPTEN-5YLIDENE)-PROPYL]-PHENYL }-METHYNSULFON AMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID | ELI LILLY AND COMPANY (US) | 2009-07-16 | — | — | WO | disclosed |
| US-20090149445-A1 | TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS | COGHLAN MICHAEL JOSEPH | 2009-06-11 | — | — | US | disclosed |
| EP-1519915-B1 | TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS | LILLY CO ELI (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2009023721-A1 | COMPOSITIONS AND METHODS FOR CONTROLLING NEMATODES | DIVERGENCE, INC. (US) | 2009-02-19 | — | — | WO | disclosed |
| US-7482344-B2 | Tricyclic steroid hormone nuclear receptor modulators | ELI LILLY AND COMPANY (US) | 2009-01-27 | — | — | US | disclosed |
| US-7411072-B2 | Tricyclic steroid hormone nuclear receptor modulators | ELI LILLY AND COMPANY (US) | 2008-08-12 | — | — | US | disclosed |
| US-20070088016-A1 | Tricyclic steroid hormone nuclear receptor modulators | ELI LILLY AND COMPANY | 2007-04-19 | — | — | US | disclosed |
| US-20060063759-A1 | Tricyclic steroid hormone nuclear receptor modulators | ELI LILLY AND COMPANY | 2006-03-23 | — | — | US | disclosed |
| EP-1519915-A2 | TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-04-06 | — | — | EP | disclosed |
| WO-2004052847-A2 | TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-06-24 | — | — | 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 (5 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-20090149445-A1 | TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS | NR5A1, NR3C2, NR3C1 | CHRM2 881/4885ADRA2A 218/4885SLC6A4 918/4885 |
| US-20170247342-A1 | PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD | CBR3, NOS3, CBR1 | CHRM2 1201/4885ADRA2A 2408/4885SLC6A4 2370/4885 |
| US-20160200690-A1 | PRODUCTION METHOD FOR 3,3-DIMETHYL-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE DERIVATIVE AND INTERMEDIATE FOR SAID PRODUCTION METHOD | CBR3, NOS3, CBR1 | CHRM2 1151/4885ADRA2A 2529/4885SLC6A4 2492/4885 |
| US-20070088016-A1 | Tricyclic steroid hormone nuclear receptor modulators | NR3C2, NR3C1, NR5A1 | CHRM2 605/4885ADRA2A 164/4885SLC6A4 1334/4885 |
| US-20060063759-A1 | Tricyclic steroid hormone nuclear receptor modulators | NR5A1, NR3C2, NR3C1 | CHRM2 792/4885ADRA2A 203/4885SLC6A4 924/4885 |
“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.