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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 known ✓ | P50406 | 1/20 | 0.47 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.46 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.46 |
| ▸ | RORC | P51449 | 15/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27544243 | 0.99 | HTR6 (0.48) | HTR6DRD2SLC6A4RORC | |
| Oxalic Acid SCHEMBL5365545 | 0.79 | MAPT (0.51) | HTR6DRD2SLC6A4RORC | |
| Oxalic Acid SCHEMBL5365550 | 0.79 | MAPT (0.51) | HTR6DRD2SLC6A4RORC | |
| SCHEMBL27452055 | 0.78 | RORC (0.47) | HTR6DRD2SLC6A4RORC | |
| SCHEMBL5367428 | 0.78 | CYP1A2 (0.57) | HTR6DRD2SLC6A4RORC | |
| Oxalic Acid SCHEMBL27544244 | 0.78 | MAPT (0.52) | HTR6DRD2SLC6A4RORC | |
| Oxalic Acid SCHEMBL5372484 | 0.77 | HTR6 (0.57) | HTR6DRD2SLC6A4RORC | |
| SCHEMBL5769307 | 0.76 | HTR6 (0.61) | HTR6DRD2SLC6A4RORC | |
| SCHEMBL3352752 | 0.75 | HTR1B (0.57) | HTR6DRD2SLC6A4RORC | |
| SCHEMBL9764630 | 0.75 | DRD2 (0.53) | HTR6DRD2SLC6A4RORC |
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-20070135484-A1 | BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR | FILLA SANDRA A | 2007-06-14 | — | — | US | disclosed |
| US-7230011-B2 | Benzenesulfonic acid indol-5-yl esters as antagonists of the 5ht6 receptor | ELI LILLY AND COMPANY (US) | 2007-06-12 | — | — | US | disclosed |
| EP-1377580-B1 | BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR | LILLY CO ELI (US) | 2006-09-27 | — | — | EP | disclosed |
| US-20040102481-A1 | Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor | FILLA SANDRA ANN (US) | 2004-05-27 | — | — | US | disclosed |
| EP-1377580-A2 | BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR | ELI LILLY AND COMPANY (US) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002060871-A2 | BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR | ELI LILLY AND COMPANY (US) | 2002-08-08 | — | — | 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 (2 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-20040102481-A1 | Benzenesulfonic acid indol-5-yl esters as antagonists of the 5-ht6 receptor | HTR6, HTR5A, TPH1 | HTR6 1/4885DRD2 157/4885SLC6A4 24/4885 |
| US-20070135484-A1 | BENZENESULFONIC ACID INDOL-5-YL ESTERS AS ANTAGONISTS OF THE 5-HT6 RECEPTOR | HTR6, HTR5A, HTR7 | HTR6 1/4885DRD2 160/4885SLC6A4 23/4885 |
“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.