Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Cycloheptanone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.31 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.65 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Cyclohexanone SCHEMBL3600071 | 1.00 | TRIM24 (0.65) | TRIM24TRIM33ALDH1A1FFAR3LCK | |
| Cyclohexanone SCHEMBL28536813 | 1.00 | TRIM24 (0.65) | TRIM24TRIM33ALDH1A1FFAR3LCK | |
| Cyclohexanone SCHEMBL9421237 | 1.00 | TRIM24 (0.65) | TRIM24TRIM33ALDH1A1FFAR3LCK | |
| Cyclohexanone SCHEMBL28259728 | 0.97 | TRIM24 (0.61) | TRIM24TRIM33ALDH1A1FFAR3LCK | |
| Cyclopentanone SCHEMBL3600348 | 0.97 | TRIM24 (0.62) | TRIM24TRIM33ALDH1A1FFAR3LCK | |
| Cyclohexanone SCHEMBL2255977 | 0.95 | ALDH1A1 (0.58) | TRIM24TRIM33ALDH1A1FFAR3LCK | |
| Cyclohexanone SCHEMBL1071504 | 0.91 | TRIM24 (0.69) | TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A | |
| Cyclohexanone SCHEMBL15659452 | 0.88 | TRIM24 (0.65) | TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A | |
| Cyclohexanone SCHEMBL27491229 | 0.88 | TRIM24 (0.65) | TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A | |
| Cyclopentanone SCHEMBL8150513 | 0.88 | TRIM24 (0.67) | TRIM24TRIM33ALDH1A1SMN1; SMN2KMT2A |
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-7728022-B2 | (3-phenyl-1-{1-[4-(trifluoromethyl)phenyl]butyl}-4,5,6,7-tetrahydro-1H-indol-7-yl)acetic acid, used for treating diseases associated with the deposition of beta -amyloid peptide in the brain | MERCK SHARP & DOHME LTD. (GB) | 2010-06-01 | — | — | US | disclosed |
| EP-1748982-B1 | (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME (GB) | 2009-07-29 | — | — | EP | disclosed |
| US-20070232678-A1 | (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease | MERCK SHARP & DOHME LTD. (GB) | 2007-10-04 | — | — | US | disclosed |
| EP-1748982-A1 | (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LTD. (GB) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005108362-A1 | (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LIMITED (GB) | 2005-11-17 | — | — | 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-20070232678-A1 | (4, 5, 6, 7-Tetrahydro-1-H-Indol-7-Yl) Acetic Acid Derivatives for Treatment of Alzheimer's Disease | APP, BACE1, CHAT | ESR1 3093/4885TRIM24 2487/4885TRIM33 3712/4885 |
“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.