Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.83 |
| ▸ | DRD4 | P21917 | 11/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL4499616 | 1.00 | CCR3 (0.83) | CCR3DRD4EPHX2CYP1A2CYP3A4 | |
| Water SCHEMBL4502730 | 0.92 | CCR3 (0.98) | CCR3DRD4EPHX2CYP1A2CYP3A4 | |
| Water SCHEMBL5678179 | 0.92 | CCR3 (0.98) | CCR3DRD4EPHX2CYP1A2CYP3A4 | |
| SCHEMBL30211814 | 0.91 | CCR3 (1.00) | CCR3DRD4EPHX2CYP1A2CYP3A4 | |
| SCHEMBL1191539 | 0.91 | CCR3 (1.00) | CCR3DRD4EPHX2CYP1A2CYP3A4 | |
| SCHEMBL29833512 | 0.91 | CCR3 (1.00) | CCR3DRD4EPHX2CYP1A2CYP3A4 | |
| SCHEMBL1191540 | 0.91 | CCR3 (1.00) | CCR3DRD4EPHX2CYP1A2CYP3A4 | |
| SCHEMBL2836527 | 0.91 | CCR3 (1.00) | CCR3DRD4EPHX2CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL5619029 | 0.90 | CCR3 (0.98) | CCR3DRD4EPHX2CYP1A2CYP3A4 | |
| SCHEMBL5619188 | 0.87 | CCR3 (0.91) | CCR3DRD4EPHX2CYP1A2CYP3A4 |
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-7531651-B2 | Benzenesulphonate salt of a morpholine urea derivative for use as a CCR-3 antagonist in the treatment of inflammatory conditions | GLAXO GROUP LIMITED (GB) | 2009-05-12 | — | — | US | disclosed |
| EP-1487809-B1 | PROCESS FOR THE PREPARATION OF MORPHOLINE DERIVATIVES AND INTERMEDIATES THEREFORE | GLAXO GROUP LTD (GB) | 2008-01-09 | — | — | EP | disclosed |
| US-20060089497-A1 | Benzenesulphonate salt of a morpholine urea derivative for use as a ccr-3 antagonist in the treatment of inflammatory conditions | GLAXO GROUP LIMITED (GB) | 2006-04-27 | — | — | US | disclosed |
| EP-1487456-B1 | BENZENESULPHONATE SALT OF A MORPHOLINE UREA DERIVATIVE FOR USE AS A CCR-3 ANTAGONIST IN THE TREATMENT OF INFLAMMATORY CONDITIONS | GLAXO GROUP LTD (GB) | 2006-02-15 | — | — | EP | disclosed |
| EP-1487456-A1 | BENZENESULPHONATE SALT OF A MORPHOLINE UREA DERIVATIVE FOR USE AS A CCR-3 ANTAGONIST IN THE TREATMENT OF INFLAMMATORY CONDITIONS | GLAXO GROUP LIMITED (GB) | 2004-12-22 | — | — | EP | disclosed |
| WO-2003082293-A1 | BENZENESULPHONATE SALT OF A MORPHOLINE UREA DERIVATIVE FOR USE AS A CCR-3 ANTAGONIST IN THE TREATMENT OF INFLAMMATORY CONDITIONS | GLAXO GROUP LIMITED (GB) | 2003-10-09 | — | — | 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 (1 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-20060089497-A1 | Benzenesulphonate salt of a morpholine urea derivative for use as a ccr-3 antagonist in the treatment of inflammatory conditions | CCR3, CCR1, CCR6 | DRD2 2994/4885CCR3 1/4885DRD4 3513/4885 |
“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.