Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | C5AR1 | P21730 | 3/20 | 0.33 |
| ▸ | PYGL | P06737 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL494391 | 0.85 | CHRM1 (0.34) | ALDH1A1L3MBTL1NPSR1POLBCHRM1 | |
| SCHEMBL2417140 | 0.85 | BCL2A1 (0.44) | ALDH1A1POLBGAAC5AR1 | |
| SCHEMBL494126 | 0.85 | BCL2A1 (0.44) | ALDH1A1POLBGAAC5AR1 | |
| SCHEMBL493957 | 0.84 | OPRL1 (0.36) | ALDH1A1L3MBTL1TSHRLMNANPSR1 | |
| SCHEMBL13903208 | 0.77 | GAA (0.47) | L3MBTL1TSHRKMT2ALMNAGAA | |
| SCHEMBL17900515 | 0.77 | GAA (0.47) | L3MBTL1TSHRKMT2ALMNAGAA | |
| SCHEMBL8990452 | 0.76 | TSHR (0.43) | ALDH1A1L3MBTL1TSHRKMT2ASMN1; SMN2 | |
| SCHEMBL6258817 | 0.75 | IDO1 (0.49) | L3MBTL1TSHRLMNAGAACHRM2 | |
| SCHEMBL8990470 | 0.75 | IDO1 (0.46) | ALDH1A1L3MBTL1TSHRKMT2ASMN1; SMN2 | |
| SCHEMBL645073 | 0.74 | KDM4E (0.36) | ALDH1A1L3MBTL1GAAIDO1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8124788-B2 | Spirocyclic cyclohexane compounds with analgesic activity | GRUENENTHAL GMBH (DE) | 2012-02-28 | — | — | US | disclosed |
| US-8119633-B2 | N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases | GRUENENTHAL GMBH (DE) | 2012-02-21 | — | — | US | disclosed |
| US-8106055-B2 | Substituted amide compounds | GRUENENTHAL GMBH (DE) | 2012-01-31 | — | — | US | disclosed |
| US-8058475-B2 | Substituted cyclohexylmethyl compounds | GRUENENTHAL GMBH (DE) | 2011-11-15 | — | — | US | disclosed |
| EP-2150530-B1 | SUBSTITUTED SULFONAMIDE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2011-10-26 | — | — | EP | disclosed |
| EP-2010531-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES | GRUENENTHAL GMBH (DE) | 2011-08-17 | — | — | EP | disclosed |
| EP-1989174-B1 | SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES | GRUENENTHAL GMBH (DE) | 2011-08-03 | — | — | EP | disclosed |
| EP-2150530-A1 | SUBSTITUTED SULFONAMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2010-02-10 | — | — | EP | disclosed |
| EP-2139851-A2 | SUBSTITUTED AMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2010-01-06 | — | — | EP | disclosed |
| US-20090286833-A1 | Substituted Cyclohexylmethyl Compounds | GRUENENTHAL GMBH (DE) | 2009-11-19 | — | — | US | disclosed |
| US-20090111842-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY | GRUENENTHAL GMBH (DE) | 2009-04-30 | — | — | US | disclosed |
| EP-2010531-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2009-01-07 | — | — | EP | disclosed |
| US-20080312231-A1 | Substituted Sulfonamide Compounds | GRUENENTHAL GMBH (DE) | 2008-12-18 | — | — | US | disclosed |
| WO-2008131946-A2 | SUBSTITUTED AMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2008-11-06 | — | — | WO | disclosed |
| WO-2008131947-A1 | SUBSTITUTED SULFONAMIDE DERIVATIVES | Grünenthal GmbH (DE) | 2008-11-06 | — | — | WO | disclosed |
| WO-2007124903-A1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES | Grünenthal GmbH (DE) | 2007-11-08 | — | — | 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 (3 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-20090286833-A1 | Substituted Cyclohexylmethyl Compounds | CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R | ALDH1A1 1333/4885L3MBTL1 4461/4885TSHR 760/4885 |
| US-20080312231-A1 | Substituted Sulfonamide Compounds | SULT2A1, SULT1A1, SCN1A | ALDH1A1 511/4885L3MBTL1 4857/4885TSHR 3623/4885 |
| US-20090111842-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY | OPRK1, OPRL1, OPRD1 | ALDH1A1 358/4885L3MBTL1 4834/4885TSHR 3561/4885 |
“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.