Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | DRD4 known ✓ | P21917 | 5/20 | 0.48 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.47 |
| ▸ | CCR3 | P51677 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NAMPT | P43490 | 2/20 | 0.42 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.42 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 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 SCHEMBL4502061 | 1.00 | CCR3 (0.67) | CCR3DRD4MEN1KMT2ALMNA | |
| Water SCHEMBL4499620 | 0.97 | CCR3 (0.67) | CCR3DRD4MEN1KMT2ALMNA | |
| Water SCHEMBL4684055 | 0.97 | CCR3 (0.67) | CCR3DRD4MEN1KMT2ALMNA | |
| SCHEMBL5618925 | 0.88 | CCR3 (0.81) | CCR3DRD4MEN1KMT2ALMNA | |
| SCHEMBL5775843 | 0.86 | CCR3 (0.70) | CCR3DRD4MEN1KMT2ALMNA | |
| SCHEMBL5777905 | 0.86 | CCR3 (0.77) | CCR3DRD4MEN1KMT2ALMNA | |
| SCHEMBL5776845 | 0.86 | CCR3 (0.74) | CCR3DRD4MEN1KMT2ALMNA | |
| SCHEMBL5774785 | 0.84 | CCR3 (0.63) | CCR3NAMPT | |
| SCHEMBL5778646 | 0.84 | CCR3 (0.83) | CCR3DRD4MEN1KMT2ALMNA | |
| Water SCHEMBL4500349 | 0.84 | CCR3 (0.83) | CCR3DRD4MEN1KMT2ALMNA |
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 5 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 |
| 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 | DRD4 3513/4885MEN1 3355/4885CCR3 1/4885 |
“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.