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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.33 |
| ▸ | SCN4A known ✓ | P35499 | 1/20 | 0.32 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.32 |
| ▸ | SCN9A known ✓ | Q15858 | 1/20 | 0.32 |
| ▸ | SCN3A known ✓ | Q9NY46 | 1/20 | 0.32 |
| ▸ | GABRA1 known ✓ | P14867 | 2/20 | 0.31 |
| ▸ | GABRB2 known ✓ | P47870 | 2/20 | 0.31 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.31 |
| ▸ | CA4 known ✓ | P22748 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.33 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5693066 | 0.80 | L3MBTL1 (0.47) | L3MBTL1TDP1PTGS2HPGDALDH1A1 | |
| SCHEMBL13154151 | 0.80 | THRB (0.42) | L3MBTL1TDP1PTGS2HPGDALDH1A1 | |
| SCHEMBL2325202 | 0.80 | GPR52 (0.38) | L3MBTL1TDP1PTGS2HPGDALDH1A1 | |
| SCHEMBL11079476 | 0.79 | TDP1 (0.47) | L3MBTL1TDP1HPGDALDH1A1GPR52 | |
| SCHEMBL2876253 | 0.76 | CA12 (0.48) | L3MBTL1TDP1ALDH1A1TSHRLMNA | |
| SCHEMBL28360772 | 0.76 | CA12 (0.37) | L3MBTL1TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL27733110 | 0.76 | ALDH1A1 (0.34) | L3MBTL1TDP1PTGS2HPGDALDH1A1 | |
| SCHEMBL6915052 | 0.75 | TDP1 (0.47) | L3MBTL1TDP1HPGDALDH1A1GPR52 | |
| SCHEMBL6915047 | 0.75 | TDP1 (0.47) | L3MBTL1TDP1HPGDALDH1A1GPR52 | |
| SCHEMBL6914099 | 0.75 | TDP1 (0.47) | L3MBTL1TDP1HPGDALDH1A1GPR52 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7399777-B2 | Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmceuticals | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2008-07-15 | — | — | US | disclosed |
| US-20050267177-A1 | Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2005-12-01 | — | — | 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 (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-20050267177-A1 | Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals | PNLIP, LIPC, LIPA | PTGS2 796/4885SCN4A 2008/4885SCN5A 1655/4885 |
“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.