Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | CBX7 | O95931 | 2/20 | 0.44 |
| ▸ | CDYL | Q9Y232 | 2/20 | 0.44 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.44 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 5-Fluoroisatin SCHEMBL734148 | 0.90 | MAOB (0.41) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL12440856 | 0.82 | IDO1 (0.54) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL700627 | 0.82 | IDO1 (0.69) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL735234 | 0.81 | IDO1 (0.59) | IDO1MAPTHTTLMNASMN1; SMN2 | |
| SCHEMBL734639 | 0.78 | IDO1 (0.47) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL16377152 | 0.74 | PGR (0.45) | IDO1MAPTHTTCYP1A2CYP2C19 | |
| SCHEMBL15978926 | 0.73 | MAPT (0.37) | MAPTHTTLMNACYP1A2CYP2C19 | |
| SCHEMBL22498716 | 0.71 | IDO1 (0.55) | IDO1CBX7CDYLCDYL2CDY1; CDY1B | |
| SCHEMBL2697131 | 0.71 | AKR1B1 (0.42) | MAPTLMNACYP1A2CYP2C19KMT2A | |
| SCHEMBL1751550 | 0.71 | AKR1B1 (0.52) | IDO1CBX7CDYLCDYL2CDY1; CDY1B |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138187-B2 | Substituted heteroaryl derivatives | GRUENENTHAL GMBH (DE) | 2012-03-20 | — | — | US | disclosed |
| US-8124788-B2 | Spirocyclic cyclohexane compounds with analgesic activity | GRUENENTHAL GMBH (DE) | 2012-02-28 | — | — | US | disclosed |
| US-8124788-B2 | Spirocyclic cyclohexane compounds with analgesic activity | GRUENENTHAL GMBH (DE) | 2012-02-28 | — | — | US | disclosed |
| US-8124788-B2 | Spirocyclic cyclohexane compounds with analgesic activity | GRUENENTHAL GMBH (DE) | 2012-02-28 | — | — | US | disclosed |
| EP-2010531-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES WITH ANALGESIC PROPERTIES | GRUENENTHAL GMBH (DE) | 2011-08-17 | — | — | EP | disclosed |
| US-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | GRUNENTHAL GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| CN-101622255-A | Spirocyclic cyclohexane derivatives | GRUENENTHAL GMBH | 2010-01-06 | — | — | CN | disclosed |
| CN-101516844-A | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH (DE) | 2009-08-26 | — | — | CN | disclosed |
| US-20090111842-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY | GRUENENTHAL GMBH (DE) | 2009-04-30 | — | — | US | disclosed |
| US-20090111842-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY | GRUENENTHAL GMBH (DE) | 2009-04-30 | — | — | US | disclosed |
| US-20090111842-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY | GRUENENTHAL GMBH (DE) | 2009-04-30 | — | — | US | 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 (2 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-20100009986-A1 | SUBSTITUTED HETEROARYL DERIVATIVES | CYP3A43, HMGCR, ABCG2 | IDO1 2394/4885CBX7 1604/4885CDYL 716/4885 |
| US-20090111842-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS WITH ANALGESIC ACTIVITY | OPRK1, OPRL1, OPRD1 | IDO1 3506/4885CBX7 4005/4885CDYL 3909/4885 |
“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.