Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tc-2216. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 8/20 | 0.97 |
| ▸ | CHRNA4 known ✓ | P43681 | 8/20 | 0.97 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.97 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.97 |
| ▸ | CHRNA1 | P02708 | 4/20 | 0.97 |
| ▸ | CHRNG | P07510 | 4/20 | 0.97 |
| ▸ | CHRNB1 | P11230 | 4/20 | 0.97 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.97 |
| ▸ | CHRND | Q07001 | 4/20 | 0.97 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.48 |
| ▸ | CDC42BPB | Q9Y5S2 | 8/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.45 |
| ▸ | CDC42BPA | Q5VT25 | 2/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 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 | |
|---|---|---|---|---|
| Tc-2216 SCHEMBL1762621 | 1.00 | CHRNB2 (0.97) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| Tc-2216 SCHEMBL1762505 | 1.00 | CHRNB2 (0.97) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| Tc-2216 SCHEMBL1499388 | 0.99 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| Tc-2216 SCHEMBL1499391 | 0.99 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| Tc-2216 SCHEMBL1499649 | 0.99 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL1557335 | 0.95 | CHRNB2 (0.92) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| Tc-2216 SCHEMBL6704987 | 0.94 | CHRNB2 (0.90) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL1617142 | 0.93 | CHRNB2 (0.90) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL1556932 | 0.92 | CHRNB2 (1.00) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL1616562 | 0.89 | CHRNB2 (0.82) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110118239-A1 | PREPARATION AND ENANTIOMERIC SEPARATION OF 7-(3-PYRIDINYL)-1,7-DIAZASPIRO[4.4]NONANE AND NOVEL SALT FORMS OF THE RACEMATE AND ENANTIOMERS | TARGACEPT, INC. (US) | 2011-05-19 | — | — | US | disclosed |
| US-20110105548-A1 | N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT, INC. (US) | 2011-05-05 | — | — | US | disclosed |
| US-7923559-B2 | 7-(3-pyridyl)-1,7-diazaspiro[4.4]nonane; mania, anxiety, dyslexia, schizophrenia, depression, obsessive-compulsive disorders, Tourette's syndrome | TARGACEPT, INC. (US) | 2011-04-12 | — | — | US | disclosed |
| EP-1519939-B9 | N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT INC (US) | 2011-04-06 | — | — | EP | disclosed |
| EP-2242364-A1 | PREPARATION AND ENANTIOMERIC SEPARATION OF 7-(3-PYRIDINYL)-1,7-DIAZASPIROÝ4.4¨NONANE AND NOVEL SALT FORMS OF THE RACEMATE AND ENANTIOMERS | Targacept Inc. (US) | 2010-10-27 | — | — | EP | disclosed |
| EP-1519939-B1 | N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT INC (US) | 2009-12-09 | — | — | EP | disclosed |
| WO-2009091561-A1 | PREPARATION AND ENANTIOMERIC SEPARATION OF 7-(3-PYRIDINYL)-1,7-DIAZASPIRO[4.4] NONANE AND NOVEL SALT FORMS OF THE RACEMATE AND ENANTIOMERS | TARGACEPT, INC. (US) | 2009-07-23 | — | — | WO | disclosed |
| EP-2078718-A1 | N-aryl diazaspiracyclic compounds and methods of preparation and use thereof | Targacept, Inc. (US) | 2009-07-15 | — | — | EP | disclosed |
| US-20080214591-A1 | N-Aryl Diazaspirocyclic Compounds and Methods of Preparation and Use Thereof | BHATTI BALWINDER S | 2008-09-04 | — | — | US | disclosed |
| US-7375110-B2 | N-aryl diazaspiracyclic compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2008-05-20 | — | — | US | disclosed |
| US-7291731-B2 | N-aryl diazaspiracyclic compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2007-11-06 | — | — | US | disclosed |
| EP-1784184-A2 | THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION | Targacept, Inc. (US) | 2007-05-16 | — | — | EP | disclosed |
| US-20060217406-A1 | N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | BHATTI BALWINDER S | 2006-09-28 | — | — | US | disclosed |
| US-20060058328-A1 | Use of N-aryl diazaspiracyclic compounds in the treatment of addiction | BHATTI BALWINDER S | 2006-03-16 | — | — | US | disclosed |
| WO-2006023630-A2 | THE USE OF N-ARYL DIAZASPIRACYCLIC COMPOUNDS IN THE TREATMENT OF ADDICTION | TARGACEPT, INC. (US) | 2006-03-02 | — | — | WO | disclosed |
| US-20050272739-A1 | N-aryl diazaspiracyclic compounds and methods of preparation and use thereof | BHATTI BALWINDER S | 2005-12-08 | — | — | US | disclosed |
| US-6956042-B2 | N-aryl diazaspiracyclic compounds and methods of preparation and use thereof | TARGACEPT, INC. (US) | 2005-10-18 | — | — | US | disclosed |
| EP-1519939-A2 | N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | Targacept, Inc. (US) | 2005-04-06 | — | — | EP | disclosed |
| US-20040067930-A1 | N-aryl diazaspiracyclic compounds and methods of preparation and use thereof | TARGACEPT, INC. | 2004-04-08 | — | — | US | disclosed |
| WO-2004005293-A2 | N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TARGACEPT, INC. (US) | 2004-01-15 | — | — | 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 (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-20080214591-A1 | N-Aryl Diazaspirocyclic Compounds and Methods of Preparation and Use Thereof | TNNC1, ACHE, CHRNA6 | CHRNB2 15/4885CHRNA4 12/4885CHRNB4 21/4885 |
| US-20110105548-A1 | N-ARYL DIAZASPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TNNC1, ACHE, CHRNA6 | CHRNB2 15/4885CHRNA4 12/4885CHRNB4 21/4885 |
| US-20060217406-A1 | N-ARYL DIAZASPIRACYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF | TNNC1, ACHE, CHRNA6 | CHRNB2 14/4885CHRNA4 9/4885CHRNB4 19/4885 |
| US-20050272739-A1 | N-aryl diazaspiracyclic compounds and methods of preparation and use thereof | TNNC1, ACHE, CHRNA6 | CHRNB2 14/4885CHRNA4 9/4885CHRNB4 19/4885 |
| US-20060058328-A1 | Use of N-aryl diazaspiracyclic compounds in the treatment of addiction | OPRD1, OPRK1, OPRL1 | CHRNB2 104/4885CHRNA4 66/4885CHRNB4 134/4885 |
| US-20040067930-A1 | N-aryl diazaspiracyclic compounds and methods of preparation and use thereof | TNNC1, ACHE, CHRNA6 | CHRNB2 14/4885CHRNA4 9/4885CHRNB4 19/4885 |
“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.