Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.71 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.71 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.71 |
| ▸ | PPARG known ✓ | P37231 | 18/20 | 0.59 |
| ▸ | PGR | P06401 | 1/20 | 0.71 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.71 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.71 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.71 |
| ▸ | DRD3 | P35462 | 1/20 | 0.71 |
| ▸ | PPARA | Q07869 | 17/20 | 0.59 |
| ▸ | PPARD | Q03181 | 4/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL1336462 | 1.00 | PGR (0.71) | PGRADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL1336469 | 0.98 | PGR (0.71) | PGRADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL543456 | 0.98 | PGR (0.71) | PGRADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL543632 | 0.93 | PGR (0.81) | PGRADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL543001 | 0.93 | PGR (0.81) | PGRADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL543002 | 0.93 | PGR (0.81) | PGRADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL543589 | 0.92 | PGR (0.79) | PGRADORA3CHRM1TBXA2RPTGS1 | |
| Calcium SCHEMBL543457 | 0.92 | PGR (0.79) | PGRADORA3CHRM1TBXA2RPTGS1 | |
| Calcium SCHEMBL1336471 | 0.92 | PGR (0.79) | PGRADORA3CHRM1TBXA2RPTGS1 | |
| SCHEMBL1336464 | 0.92 | PGR (0.79) | PGRADORA3CHRM1TBXA2RPTGS1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8110598-B2 | (+-) Ethyl 3-{4-[2-(pyrrol-1-yl)ethoxy]phenyl}-2-ethoxypropanoate; hyperlipidaemia, hypercholesteremia, hyperglycemia, obesity, impaired glucose intolerance, leptin resistance, insulin resistance, reducing plasma glucose, triglycerides, total cholesterol, LDL, VLDL or free fatty acids in the plasma | CADILA HEALTHCARE LIMITED (IN) | 2012-02-07 | — | — | US | disclosed |
| US-20080188402-A1 | NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE | CADILLA HEALTHCARE LIMITED (IN) | 2008-08-07 | — | — | US | disclosed |
| US-7323491-B2 | Heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine | CADILA HEALTHCARE LIMITED (IN) | 2008-01-29 | — | — | US | disclosed |
| US-7041837-B2 | Heterocyclic compounds having hypolipidemic, hypocholesteremic activities process for their preparation and pharmaceutical compositions containing them and their use in medicine | CADILLA HEALTHCARE LIMITED (IN) | 2006-05-09 | — | — | US | disclosed |
| US-6987123-B2 | Heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine | CADILA HEALTHCARE LIMITED (IN) | 2006-01-17 | — | — | US | disclosed |
| US-20040186099-A1 | Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine | LOHRAY BRAJ BHUSHAN (IN) | 2004-09-23 | — | — | US | disclosed |
| US-20030236254-A1 | Novel heterocyclic compounds having hypolipidemic, hypocholesteremic activities process for their preparation and pharmaceutical compositions containing them and their use in medicine | CADILA HEALTHCARE LIMITED (IN) | 2003-12-25 | — | — | US | disclosed |
| US-20030199498-A1 | Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine | CADILA HEALTHCARE LIMITED | 2003-10-23 | — | — | US | 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-20030199498-A1 | Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine | CYP11B2, CYP11B1, MAPT | ADORA3 1446/4885PTGS1 343/4885PDE4A 533/4885 |
| US-20040186099-A1 | Novel heterocyclic compounds, their preparation, pharmaceutical compositions containing them and their use in medicine | CYP11B2, CYP11B1, MAPT | ADORA3 1446/4885PTGS1 343/4885PDE4A 533/4885 |
| US-20030236254-A1 | Novel heterocyclic compounds having hypolipidemic, hypocholesteremic activities process for their preparation and pharmaceutical compositions containing them and their use in medicine | LIPA, LIPC, CYP46A1 | ADORA3 2484/4885PTGS1 1433/4885PDE4A 710/4885 |
| US-20080188402-A1 | NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE | CYP11B2, MAPT, CYP11B1 | ADORA3 1303/4885PTGS1 566/4885PDE4A 437/4885 |
“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.