Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | ELANE | P08246 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6774733 | 1.00 | SIGMAR1 (0.47) | SIGMAR1CHRM2CHRM3CHRM4CHRM5 | |
| SCHEMBL6995548 | 0.85 | ALDH1A1 (0.44) | SIGMAR1ALDH1A1 | |
| SCHEMBL2302565 | 0.79 | CHRM2 (0.46) | SIGMAR1CHRM2CHRM3CHRM4CHRM5 | |
| SCHEMBL19839225 | 0.75 | CHRM2 (0.59) | SIGMAR1CHRM2CHRM3CHRM4CHRM5 | |
| SCHEMBL286992 | 0.75 | CHRM2 (0.59) | SIGMAR1CHRM2CHRM3CHRM4CHRM5 | |
| SCHEMBL6949097 | 0.75 | SIGMAR1 (0.49) | SIGMAR1CHRM2CHRM3CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL25368439 | 0.74 | CHRM2 (0.62) | SIGMAR1CHRM2CHRM3CHRM4CHRM5 | |
| Hydrochloric Acid SCHEMBL1869998 | 0.74 | CHRM2 (0.62) | SIGMAR1CHRM2CHRM3CHRM4CHRM5 | |
| SCHEMBL13986863 | 0.74 | SIGMAR1 (0.36) | SIGMAR1GSK3AGSK3BALDH1A1 | |
| SCHEMBL1992789 | 0.74 | KMT2A (0.45) | SIGMAR1CHRM2CHRM3CHRM4CHRM5 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2316836-A1 | Substituted diazabicycloalkane derivatives as ligands at alpha 7 nicotinic acetylcholine receptors | Abbott Laboratories (US) | 2011-05-04 | — | — | EP | disclosed |
| US-7872010-B2 | Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors | ABBOTT LABORATORIES (US) | 2011-01-18 | — | — | US | disclosed |
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | ABBOTT LABORATORIES (US) | 2008-11-06 | — | — | US | disclosed |
| US-7435831-B2 | Bicyclic and bridged nitrogen heterocycles | CHEMOCENTRYX, INC. (US) | 2008-10-14 | — | — | US | disclosed |
| US-7435830-B2 | Bicyclic and bridged nitrogen heterocycles | CHEMOCENTRYX, INC. (US) | 2008-10-14 | — | — | US | disclosed |
| US-7399765-B2 | Substituted diazabicycloalkane derivatives | ABBOTT LABORATORIES (US) | 2008-07-15 | — | — | US | disclosed |
| US-20080153809-A1 | NOVEL AMIDES USEFUL FOR TREATING PAIN | ABBOTT LABORATORIES (US) | 2008-06-26 | — | — | US | disclosed |
| US-7348343-B2 | Amides useful for treating pain | ABBOTT LABORATORIES INC. (US) | 2008-03-25 | — | — | US | disclosed |
| US-20070010557-A1 | Novel amides useful for treating pain | ABBVIE INC. | 2007-01-11 | — | — | US | disclosed |
| US-7129235-B2 | Amides useful for treating pain | ABBOTT LABORATORIES (US) | 2006-10-31 | — | — | US | disclosed |
| US-20050101602-A1 | For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease | ABBVIE INC. | 2005-05-12 | — | — | US | disclosed |
| US-20050080095-A1 | administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I | ABBVIE INC. | 2005-04-14 | — | — | US | disclosed |
| US-20050065178-A1 | Substituted diazabicycloakane derivatives | ABBOTT LABORATORIES | 2005-03-24 | — | — | US | disclosed |
| US-20050009841-A1 | Novel amides useful for treating pain | ABBOTT LABORATORIES | 2005-01-13 | — | — | 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 (7 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-20050009841-A1 | Novel amides useful for treating pain | OPRL1, OPRK1, FAAH2 | SIGMAR1 30/4885CHRM2 393/4885CHRM3 242/4885 |
| US-20050065178-A1 | Substituted diazabicycloakane derivatives | CHRNA7, CHRNA1, CHRNA5 | SIGMAR1 318/4885CHRM2 31/4885CHRM3 21/4885 |
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | CHRNA7, CHRNA1, CHRNA2 | SIGMAR1 420/4885CHRM2 31/4885CHRM3 22/4885 |
| US-20050080095-A1 | administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I | TRPV1, OPRL1, TRPV6 | SIGMAR1 15/4885CHRM2 334/4885CHRM3 200/4885 |
| US-20070010557-A1 | Novel amides useful for treating pain | OPRL1, PDE6B, PDE6G | SIGMAR1 5/4885CHRM2 486/4885CHRM3 822/4885 |
| US-20080153809-A1 | NOVEL AMIDES USEFUL FOR TREATING PAIN | OPRL1, OPRK1, OPRD1 | SIGMAR1 5/4885CHRM2 136/4885CHRM3 319/4885 |
| US-20050101602-A1 | For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease | CHRNA7, CHRNA2, CHRNA6 | SIGMAR1 706/4885CHRM2 32/4885CHRM3 25/4885 |
“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.