Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Sofinicline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 20/20 | 0.85 |
| ▸ | CHRNA4 known ✓ | P43681 | 20/20 | 0.85 |
| ▸ | CHRNB4 | P30926 | 20/20 | 0.85 |
| ▸ | CHRNA3 | P32297 | 20/20 | 0.85 |
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 | |
|---|---|---|---|---|
| Sofinicline SCHEMBL3913123 | 0.99 | CHRNB2 (0.83) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Sofinicline SCHEMBL2078738 | 0.95 | CHRNB2 (0.81) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Sofinicline SCHEMBL5100670 | 0.95 | CHRNB2 (0.81) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Sofinicline SCHEMBL650490 | 0.92 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Sofinicline SCHEMBL22754711 | 0.92 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Sofinicline SCHEMBL1560706 | 0.92 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Sofinicline SCHEMBL650488 | 0.92 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Sofinicline SCHEMBL4436795 | 0.92 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Sofinicline SCHEMBL650489 | 0.92 | CHRNB2 (1.00) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Sofinicline SCHEMBL5096637 | 0.91 | CHRNB2 (0.97) | CHRNB2CHRNB4CHRNA3CHRNA4 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7902371-B2 | (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate | ABBOTT LABORATORIES (US) | 2011-03-08 | — | — | US | disclosed |
| EP-1771451-B1 | (1S,5S)-3-(5,6-DICHLOROPYRIDIN-3-YL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE BENZENESULFONATE | ABBOTT LAB (US) | 2010-09-08 | — | — | EP | disclosed |
| US-20090203664-A1 | (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6- DIAZABICYCLO[3.2.0]HEPTANE | ABBOTT LABORATORIES (US) | 2009-08-13 | — | — | US | disclosed |
| US-20090198067-A1 | (1S,5S)-3-(5,6-Dichloropyridin-3-YL)-3,6-Diazabicyclo[3.2.0]Heptane Benzenesulfonate | ABBOTT LABORATORIES (US) | 2009-08-06 | — | — | US | disclosed |
| US-7538226-B2 | (1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane | ABBOTT LABORATORIES (US) | 2009-05-26 | — | — | US | disclosed |
| US-7498444-B2 | (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate | ABBOOTT LABORATORIES (US) | 2009-03-03 | — | — | US | disclosed |
| US-7354937-B2 | (1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane | ABBOTT LABORATORIES (US) | 2008-04-08 | — | — | US | disclosed |
| US-7351833-B2 | (1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate | ABBOTT LABORATORIES (US) | 2008-04-01 | — | — | US | disclosed |
| US-20080070891-A1 | (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE | ABBVIE INC. | 2008-03-20 | — | — | US | disclosed |
| US-20080004448-A1 | (1S,5S)-3-(5.6-DICHLOROPYRIDIN-3-YL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE BENZENESULFONATE | ABBVIE INC. | 2008-01-03 | — | — | US | disclosed |
| US-20060035936-A1 | (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE | ABBVIE INC. | 2006-02-16 | — | — | US | disclosed |
| US-20060035937-A1 | (1S,5S)-3-(5,6-dichloropyridin-3-YL)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate | ABBVIE INC. | 2006-02-16 | — | — | US | disclosed |
| US-20050261348-A1 | (1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane is an effective analgesic agent | ABBOTT LABORATORIES | 2005-11-24 | — | — | 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-20060035937-A1 | (1S,5S)-3-(5,6-dichloropyridin-3-YL)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate | DHPS, HCN2, DCPS | CHRNB2 2936/4885CHRNA4 2769/4885CHRNB4 3327/4885 |
| US-20080004448-A1 | (1S,5S)-3-(5.6-DICHLOROPYRIDIN-3-YL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE BENZENESULFONATE | DHPS, HCN2, DCPS | CHRNB2 2933/4885CHRNA4 2761/4885CHRNB4 3314/4885 |
| US-20080070891-A1 | (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE | CHRNA6, CHRNA5, CHRNA3 | CHRNB2 12/4885CHRNA4 7/4885CHRNB4 17/4885 |
| US-20090203664-A1 | (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6- DIAZABICYCLO[3.2.0]HEPTANE | CHRNA6, CHRNA5, CHRNA3 | CHRNB2 12/4885CHRNA4 7/4885CHRNB4 17/4885 |
| US-20090198067-A1 | (1S,5S)-3-(5,6-Dichloropyridin-3-YL)-3,6-Diazabicyclo[3.2.0]Heptane Benzenesulfonate | DHPS, HCN2, DCPS | CHRNB2 2936/4885CHRNA4 2769/4885CHRNB4 3327/4885 |
| US-20060035936-A1 | (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE | CHRNA6, CHRNA5, CHRNA3 | CHRNB2 12/4885CHRNA4 7/4885CHRNB4 17/4885 |
“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.