Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 20/20 | 0.69 |
| ▸ | OGFRL1 | Q5TC84 | 11/20 | 0.69 |
| ▸ | OPRL1 | P41146 | 12/20 | 0.54 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1304539 | 0.94 | OPRM1 (0.78) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL1304436 | 0.90 | OPRM1 (0.73) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL12618030 | 0.83 | OPRM1 (0.80) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL1304510 | 0.83 | OPRM1 (0.83) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL682213 | 0.82 | OPRM1 (1.00) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL12618032 | 0.78 | OPRM1 (0.85) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL2974435 | 0.77 | OPRM1 (0.53) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL3407872 | 0.76 | OPRM1 (0.78) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| Citric Acid SCHEMBL1304388 | 0.76 | OPRM1 (0.76) | OPRM1OGFRL1OPRL1OPRD1OPRK1 | |
| SCHEMBL10038858 | 0.75 | OPRM1 (0.78) | OPRM1OGFRL1OPRL1OPRD1OPRK1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 | claimed |
| US-7799931-B2 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2010-09-21 | — | — | US | claimed |
| EP-1560835-B1 | SPIROCYCLIC CYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2009-09-02 | — | — | EP | claimed |
| US-20090163716-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS | GRUENENTHAL GMBH (DE) | 2009-06-25 | — | — | US | claimed |
| US-20090156626-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds and Methods of Using Such Compounds | GRENENTHAL GMBH (DE) | 2009-06-18 | — | — | US | claimed |
| US-20060004034-A1 | Spirocyclic cyclohexane compounds | GRUENENTHAL GMBH (DE) | 2006-01-05 | — | — | US | claimed |
| 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 |
| 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 |
| 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 |
| 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 | OPRM1 1225/4885OGFRL1 1871/4885OPRL1 470/4885 |
| US-20110319440-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds | PKD1, VKORC1, PKD2 | OPRM1 2030/4885OGFRL1 1903/4885OPRL1 1031/4885 |
| US-20150322080-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds, Compositions Containing Such Compounds and Method of Using Such Compounds | PKD1, VKORC1, PKD2 | OPRM1 2030/4885OGFRL1 1903/4885OPRL1 1031/4885 |
| US-20100240897-A1 | Spirocyclic Cyclohexane Compounds | PKD1, PKD2, HSD17B7 | OPRM1 1225/4885OGFRL1 1871/4885OPRL1 470/4885 |
| US-20090163716-A1 | SPIROCYCLIC CYCLOHEXANE COMPOUNDS | PKD1, PKD2, HSD17B7 | OPRM1 1225/4885OGFRL1 1871/4885OPRL1 470/4885 |
| US-20090156626-A1 | Process for Preparing Spirocyclic Cyclohexane Compounds and Methods of Using Such Compounds | PKD1, VKORC1, PKD2 | OPRM1 1881/4885OGFRL1 1971/4885OPRL1 1085/4885 |
“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.