Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 12/20 | 0.47 |
| ▸ | MAOA | P21397 | 11/20 | 0.47 |
| ▸ | NISCH | Q9Y2I1 | 5/20 | 0.47 |
| ▸ | KDM1A | O60341 | 6/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21327042 | 0.79 | MAOB (0.50) | MAOBMAOANISCHKDM1ACYP2C19 | |
| SCHEMBL23108088 | 0.79 | CHRNA7 (0.61) | — | |
| SCHEMBL8845464 | 0.78 | MAOB (0.65) | MAOBMAOANISCHKDM1ACYP2C19 | |
| SCHEMBL10540521 | 0.78 | MAOB (0.65) | MAOBMAOANISCHKDM1ACYP2C19 | |
| SCHEMBL2261976 | 0.78 | MAOB (0.65) | MAOBMAOANISCHKDM1ACYP2C19 | |
| SCHEMBL12143649 | 0.75 | ALDH1A1 (0.42) | CYP1A2LMNAHSD17B10BLMNPC1 | |
| SCHEMBL19013047 | 0.75 | ALDH1A1 (0.42) | CYP1A2LMNAHSD17B10BLMNPC1 | |
| SCHEMBL24867570 | 0.75 | ALDH1A1 (0.42) | CYP1A2LMNAHSD17B10BLMNPC1 | |
| SCHEMBL369985 | 0.75 | ALDH1A1 (0.42) | CYP1A2LMNAHSD17B10BLMNPC1 | |
| SCHEMBL24868506 | 0.75 | ALDH1A1 (0.42) | CYP1A2LMNAHSD17B10BLMNPC1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11793821-B2 | Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME LLC (US) | 2023-10-24 | — | — | US | disclosed |
| US-11793821-B2 | Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME LLC (US) | 2023-10-24 | — | — | US | disclosed |
| US-20210196734-A1 | SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2021-07-01 | — | — | US | disclosed |
| US-11026958-B2 | Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors | MERCK SHARP & DOHME CORP. (US) | 2021-06-08 | — | — | US | disclosed |
| US-20210077511-A1 | SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2021-03-18 | — | — | US | disclosed |
| EP-3534889-A1 | SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | Merck Sharp & Dohme Corp. (US) | 2019-09-11 | — | — | EP | disclosed |
| EP-3375775-A1 | ARYLCYCLOPROPYLAMINE BASED DEMETHYLASE INHIBITORS OF LSD1 AND THEIR MEDICAL USE | Oryzon Genomics, S.A. (ES) | 2018-09-19 | — | — | EP | 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-11793821-B2 | Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors | CHRNA7, CHRNA6, CHRNA5 | MAOB 201/4885MAOA 152/4885NISCH 3328/4885 |
| US-11026958-B2 | Substituted 6-membered aryl or heteroaryl allosteric modulators of nicotinic acetylcholine receptors | CHRNA7, CHRNA6, CHRNA5 | MAOB 204/4885MAOA 153/4885NISCH 2955/4885 |
| US-20210196734-A1 | SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | CHRNA7, CHRNA6, CHRNA5 | MAOB 201/4885MAOA 152/4885NISCH 3328/4885 |
| US-20210077511-A1 | SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | CHRNA7, CHRNA6, CHRNA5 | MAOB 181/4885MAOA 136/4885NISCH 2632/4885 |
“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.