Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 15/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10257375 | 0.85 | CYP2A6 (0.58) | CYP2A6MAOBALDH1A1CA9CYP1A2 | |
| SCHEMBL6014124 | 0.78 | CYP2A6 (0.60) | CYP2A6CA1CA2 | |
| SCHEMBL6014129 | 0.77 | CYP2A6 (0.58) | CYP2A6MAOBALDH1A1CA12CA1 | |
| SCHEMBL7220876 | 0.77 | CYP2A6 (0.58) | CYP2A6MAOBALDH1A1CA12CA1 | |
| SCHEMBL20559975 | 0.77 | CYP2A6 (0.58) | CYP2A6CA12CA1CA2CA9 | |
| SCHEMBL29082332 | 0.77 | GPR35 (0.60) | CYP2A6MAOBALDH1A1CA12CA1 | |
| SCHEMBL3999399 | 0.77 | CYP2A6 (0.58) | CYP2A6MAOBALDH1A1CA2MAOA | |
| SCHEMBL17182569 | 0.74 | CYP2A6 (0.50) | CYP2A6MAOBALDH1A1MAOA | |
| SCHEMBL8548780 | 0.74 | MAOB (0.56) | CYP2A6MAOBALDH1A1ADORA3CA12 | |
| SCHEMBL846924 | 0.74 | CYP2A6 (1.00) | CYP2A6MAOBALDH1A1CA12CA1 |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11273168-B2 | Methods of treating anxiety by administering a substituted quinolone | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2022-03-15 | — | — | US | disclosed |
| EP-3131893-B1 | POLYCYCLIC HERG ACTIVATORS | NOVARTIS AG (CH) | 2020-02-12 | — | — | EP | disclosed |
| EP-3131893-B1 | POLYCYCLIC HERG ACTIVATORS | NOVARTIS AG (CH) | 2020-02-12 | — | — | EP | disclosed |
| CN-106604918-B | Polycyclic hERG activators | 诺华股份有限公司 | 2019-09-27 | — | — | CN | disclosed |
| CN-106604918-A | Polycyclic hERG activators | 诺华股份有限公司 | 2017-04-26 | — | — | CN | disclosed |
| EP-3131893-A1 | POLYCYCLIC HERG ACTIVATORS | Novartis AG (CH) | 2017-02-22 | — | — | EP | disclosed |
| US-20160108025-A1 | POLYCYCLIC HERG ACTIVATORS | NOVARTIS AG | 2016-04-21 | — | — | US | disclosed |
| US-20160108025-A1 | POLYCYCLIC HERG ACTIVATORS | NOVARTIS AG | 2016-04-21 | — | — | US | disclosed |
| US-20160108025-A1 | POLYCYCLIC HERG ACTIVATORS | NOVARTIS AG | 2016-04-21 | — | — | US | disclosed |
| US-9255093-B2 | Polycyclic HERG activators | NOVARTIS AG (CH) | 2016-02-09 | — | — | US | disclosed |
| US-9090572-B2 | Substituted quinoxalines compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-07-28 | — | — | US | disclosed |
| US-20130261081-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE | OTSUKA PHARMACEUTICAL CO., LTD (JP) | 2013-10-03 | — | — | US | disclosed |
| WO-2013137479-A1 | DECAHYDROQUINOXALINE DERIVATIVES AND ANALOGS THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-09-19 | — | — | WO | disclosed |
| EP-2244577-B1 | QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME (US) | 2012-10-31 | — | — | EP | disclosed |
| US-8273737-B2 | Quinolizidinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2012-09-25 | — | — | US | disclosed |
| US-8273737-B2 | Quinolizidinone M1 receptor positive allosteric modulators | MERCK SHARP & DOHME CORP. (US) | 2012-09-25 | — | — | US | disclosed |
| WO-2012036253-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-22 | — | — | WO | disclosed |
| US-20110112077-A1 | Quinolizidinone m1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME CORP. (US) | 2011-05-12 | — | — | US | disclosed |
| US-20110112077-A1 | Quinolizidinone m1 Receptor Positive Allosteric Modulators | MERCK SHARP & DOHME CORP. (US) | 2011-05-12 | — | — | US | disclosed |
| WO-2009094279-A1 | QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK & CO., INC. (US) | 2009-07-30 | — | — | 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 (4 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-11273168-B2 | Methods of treating anxiety by administering a substituted quinolone | CRH, MC2R, HTR3C | CYP2A6 1430/4885MAOB 131/4885ALDH1A1 1739/4885 |
| US-20160108025-A1 | POLYCYCLIC HERG ACTIVATORS | KCNH3, KCNH2, KCNJ11 | CYP2A6 607/4885MAOB 2514/4885ALDH1A1 1847/4885 |
| US-20130261081-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE | MC2R, SLC6A2, CRH | CYP2A6 1195/4885MAOB 49/4885ALDH1A1 2027/4885 |
| US-20110112077-A1 | Quinolizidinone m1 Receptor Positive Allosteric Modulators | CHRM1, CHRM2, OPRL1 | CYP2A6 462/4885MAOB 722/4885ALDH1A1 1850/4885 |
“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.