Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.60 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.60 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.58 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.57 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 7/20 | 0.52 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.51 |
| ▸ | HTR1D | P28221 | 3/20 | 0.50 |
| ▸ | HTR1B | P28222 | 3/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.50 |
| ▸ | HTR2C | P28335 | 2/20 | 0.50 |
| ▸ | HTR7 | P34969 | 2/20 | 0.50 |
| ▸ | HTR6 | P50406 | 2/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9093555 | 0.87 | HTR2A (0.55) | HTR2ATRPM8GPR84SLC6A4MTNR1A | |
| SCHEMBL9093560 | 0.84 | HTR2A (0.52) | HTR2ATRPM8GPR84SLC6A4MTNR1A | |
| SCHEMBL1304576 | 0.83 | MPO (0.60) | HTR2ATRPM8GPR84SLC6A4HTR1A | |
| SCHEMBL1304992 | 0.82 | HTR2A (0.66) | HTR2ATRPM8GPR84SLC6A4MTNR1A | |
| SCHEMBL5430044 | 0.81 | HTR2A (0.80) | HTR2ATRPM8GPR84SLC6A4MTNR1A | |
| SCHEMBL22152521 | 0.79 | SLC6A4 (0.56) | HTR2ATRPM8GPR84SLC6A4MTNR1A | |
| SCHEMBL1304693 | 0.79 | HTR2A (0.56) | HTR2AGPR84SLC6A4HTR1AHTR1D | |
| SCHEMBL13715518 | 0.79 | HTR2A (0.71) | HTR2ATRPM8GPR84SLC6A4MTNR1A | |
| SCHEMBL13962815 | 0.78 | SLC6A4 (0.66) | HTR2ATRPM8GPR84SLC6A4MTNR1A | |
| SCHEMBL6640808 | 0.77 | HTR2A (0.73) | HTR2ATRPM8GPR84SLC6A4MTNR1A |
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-9862719-B2 | Process or preparing spirocyclic cyclohexane compounds, compositions containing such compounds and method of using such compounds | GRUENENTHAL GMBH (DE) | 2018-01-09 | — | — | US | disclosed |
| US-20150322080-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds | ADNEURIS THERAPEUTICS, INC. | 2015-11-12 | — | — | US | disclosed |
| US-9120797-B2 | Process for preparing spirocyclic cyclohexane compounds, compositions containing such compounds and method of using such compounds | GRUENENTHAL GMBH (DE) | 2015-09-01 | — | — | US | disclosed |
| EP-2062898-B1 | Spirocyclic cyclohexane derivatives | GRUENENTHAL GMBH (DE) | 2013-10-02 | — | — | EP | disclosed |
| US-20110319440-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds | GRUENENTHAL GMBH (DE) | 2011-12-29 | — | — | US | disclosed |
| US-8053576-B2 | Treating conditions associated with the nociceptin/ORL1 receptor system, e.g. pain, drug withdrawal, anxiety, muscle relaxants, anxiolytic agents; e.g. 1,1-[3-dimethylamino-3-(pyridin-2-yl)pentamethylene]-3,4-dihydro-1H-2,9-diazafluorene | GRUENENTHAL GMBH (DE) | 2011-11-08 | — | — | US | disclosed |
| US-7951948-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2011-05-31 | — | — | US | disclosed |
| US-20100240897-A1 | Spirocyclic Cyclohexane Compounds | GRUENENTHAL GMBH (DE) | 2010-09-23 | — | — | US | disclosed |
| US-7799931-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2010-09-21 | — | — | US | disclosed |
| EP-2116544-A2 | Spirocyclic cyclohexane derivatives | Grünenthal GmbH (DE) | 2009-11-11 | — | — | EP | disclosed |
| EP-1560835-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-09-02 | — | — | EP | disclosed |
| US-20090163716-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-25 | — | — | US | disclosed |
| US-20090156626-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds and Methods of Using Such Compounds | GRENENTHAL GMBH (DE) | 2009-06-18 | — | — | US | disclosed |
| US-7547707-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2009-06-16 | — | — | US | disclosed |
| EP-2062898-A2 | Spirocyclic cyclohexane derivatives | Grünenthal GmbH (DE) | 2009-05-27 | — | — | EP | disclosed |
| US-20060004034-A1 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2006-01-05 | — | — | 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 (6 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-20060004034-A1 | Spirocyclic cyclohexane compounds | PKD1, PKD2, HSD17B7 | HTR2A 533/4885TRPM8 1350/4885GPR84 2325/4885 |
| US-20110319440-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds | PKD1, VKORC1, PKD2 | HTR2A 1699/4885TRPM8 1367/4885GPR84 2811/4885 |
| US-20150322080-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds | PKD1, VKORC1, PKD2 | HTR2A 1699/4885TRPM8 1367/4885GPR84 2811/4885 |
| US-20100240897-A1 | Spirocyclic Cyclohexane Compounds | PKD1, PKD2, HSD17B7 | HTR2A 533/4885TRPM8 1350/4885GPR84 2325/4885 |
| US-20090163716-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS | PKD1, PKD2, HSD17B7 | HTR2A 533/4885TRPM8 1350/4885GPR84 2325/4885 |
| US-20090156626-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds and Methods of Using Such Compounds | PKD1, VKORC1, PKD2 | HTR2A 952/4885TRPM8 1694/4885GPR84 3267/4885 |
“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.