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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 3/20 | 0.56 |
| ▸ | DRD3 known ✓ | P35462 | 2/20 | 0.56 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.56 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.56 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.56 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.56 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.55 |
| ▸ | CYP2J2 | P51589 | 13/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.69 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.56 |
| ▸ | APEX1 | P27695 | 1/20 | 0.56 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL17023758 | 0.91 | CYP2J2 (0.78) | CYP2J2CYP3A4CYP2C9CYP2B6KCNH2 | |
| SCHEMBL2763481 | 0.89 | CYP2J2 (0.75) | CYP2J2CYP3A4CYP2C9CYP2B6KCNH2 | |
| SCHEMBL3949330 | 0.89 | CYP2J2 (0.78) | CYP2J2CYP3A4CYP2C9CYP2B6KCNH2 | |
| SCHEMBL5311000 | 0.87 | CYP2J2 (0.90) | CYP2J2CYP3A4CYP2C9CYP2B6KCNH2 | |
| SCHEMBL11798280 | 0.86 | CYP2J2 (0.84) | CYP2J2CYP3A4CYP2C9CYP2B6KCNH2 | |
| SCHEMBL12139245 | 0.85 | CYP2J2 (1.00) | CYP2J2CYP3A4CYP2C9CYP2B6KCNH2 | |
| Hydrochloric Acid SCHEMBL11541690 | 0.85 | CYP2J2 (0.83) | CYP2J2CYP3A4CYP2C9CYP2B6KCNH2 | |
| SCHEMBL6327395 | 0.85 | KCNH2 (0.77) | CYP2J2CYP3A4KCNH2HRH1LMNA | |
| Hydrochloric Acid SCHEMBL11791455 | 0.84 | CYP2J2 (0.98) | CYP2J2CYP3A4CYP2C9CYP2B6KCNH2 | |
| Terfenadone SCHEMBL11364486 | 0.84 | CYP2J2 (1.00) | CYP2J2CYP3A4CYP2C9CYP2B6KCNH2 |
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-20050239834-A1 | Novel 4-diphenylmethyl piperidine derivatives | AVENTIS PHARMACEUTICALS INC. (US) | 2005-10-27 | — | — | US | disclosed |
| US-20040167169-A1 | Novel 4-diphenylmethyl piperidine derivatives | AVENTIS PHARMACEUTICALS INC. | 2004-08-26 | — | — | US | disclosed |
| US-20030065186-A1 | Novel 4-diphenylethyl piperidine derivatives | LING KAH HIING (US) | 2003-04-03 | — | — | US | disclosed |
| US-20020016467-A1 | Novel 4-diphenylmethyl piperdine derivatives | LING KAH HIING (US) | 2002-02-07 | — | — | US | disclosed |
| EP-0871614-A1 | ALPHA-(SUBSTITUTED ALKYLPHENYL)-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINE BUTANOL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTI-HISTAMINES, ANTI-ALLERGY AGENTS AND BRONCHODILATORS | HOECHST MARION ROUSSEL, INC. (US) | 1998-10-21 | — | — | EP | disclosed |
| WO-1996035667-A1 | ALPHA-(SUBSTITUTED ALKYLPHENYL)-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINE BUTANOL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTI-HISTAMINES, ANTI-ALLERGY AGENTS AND BRONCHODILATORS | Hoescht Marion Roussel, Inc. (US) | 1996-11-14 | — | — | 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 (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-20040167169-A1 | Novel 4-diphenylmethyl piperidine derivatives | HRH4, HRH2, HRH1 | HRH1 3/4885DRD3 88/4885PDE4A 138/4885 |
| US-20020016467-A1 | Novel 4-diphenylmethyl piperdine derivatives | HRH4, HRH2, HRH1 | HRH1 3/4885DRD3 111/4885PDE4A 121/4885 |
| US-20050239834-A1 | Novel 4-diphenylmethyl piperidine derivatives | HRH4, HRH2, HRH1 | HRH1 3/4885DRD3 88/4885PDE4A 138/4885 |
| US-20030065186-A1 | Novel 4-diphenylethyl piperidine derivatives | HRH4, HRH2, HRH1 | HRH1 3/4885DRD3 91/4885PDE4A 134/4885 |
“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.