Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | MAP2K4 | P45985 | 3/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MAT2A | P31153 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | FADS1 | O60427 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12293256 | 0.86 | FADS1 (0.45) | CHEK1NOS1LMNAGPR84FADS1 | |
| SCHEMBL10152397 | 0.80 | KIF11 (0.47) | GSK3BMAP2K4TRPA1CHEK1TP53 | |
| SCHEMBL18848183 | 0.80 | ITK (0.47) | MAP2K4CHEK1 | |
| SCHEMBL10219959 | 0.79 | MAP2K4 (0.51) | MAP2K4DAO | |
| SCHEMBL10220159 | 0.79 | PDPK1 (0.58) | GSK3BNOS1DYRK1A | |
| SCHEMBL13145737 | 0.78 | PARP1 (0.44) | CHEK1TP53SMN1; SMN2DAOLMNA | |
| SCHEMBL10220165 | 0.76 | ITK (0.45) | GSK3BMAP2K4SMN1; SMN2DYRK1ALMNA | |
| SCHEMBL10220256 | 0.76 | KIF11 (0.56) | GSK3BMAP2K4TRPA1 | |
| SCHEMBL17108228 | 0.76 | KIF11 (0.44) | GSK3BMAP2K4TRPA1DYRK1ALMNA | |
| SCHEMBL3155790 | 0.76 | CHEK1 (0.50) | GSK3BMAP2K4TRPA1CHEK1TP53 |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11028098-B2 | 4-phenylpiperidines, their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2021-06-08 | — | — | US | disclosed |
| US-10421720-B2 | Octahydrocyclopentapyrroles, their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2019-09-24 | — | — | US | disclosed |
| US-10407433-B2 | Substituted 4-phenylpiperidines, their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2019-09-10 | — | — | US | disclosed |
| US-20190031681-A1 | 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2019-01-31 | — | — | US | disclosed |
| US-9944644-B2 | Octahydropyrrolopyrroles their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-17 | — | — | US | disclosed |
| US-9944644-B2 | Octahydropyrrolopyrroles their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-17 | — | — | US | disclosed |
| US-9938291-B2 | N-alkyl-2-phenoxyethanamines, their preparation and use | THE TRUSTESS OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-10 | — | — | US | disclosed |
| US-9938291-B2 | N-alkyl-2-phenoxyethanamines, their preparation and use | THE TRUSTESS OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-10 | — | — | US | disclosed |
| US-9926271-B2 | Octahydrocyclopentapyrroles, their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-03-27 | — | — | US | disclosed |
| US-20180030060-A1 | SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-02-01 | — | — | US | disclosed |
| US-20130131064-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-05-23 | — | — | US | disclosed |
| US-8309577-B2 | Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-13 | — | — | US | disclosed |
| US-8309577-B2 | Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-13 | — | — | US | disclosed |
| US-20120035178-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2012-02-09 | — | — | US | disclosed |
| US-20120035189-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2012-02-09 | — | — | US | disclosed |
| US-7863291-B2 | Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-01-04 | — | — | US | disclosed |
| US-20100099684-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2010-04-22 | — | — | US | disclosed |
| US-20100099684-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2010-04-22 | — | — | US | disclosed |
| US-20090291945-A1 | CYSTEINE PROTEASE INHIBITORS | TEIJIN PHARMA LIMITED (JP) | 2009-11-26 | — | — | US | disclosed |
| US-20090270405-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-29 | — | — | 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 (11 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-20100099684-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | GSK3B 1483/4885MAP2K4 4595/4885TRPA1 1176/4885 |
| US-20120035189-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | GSK3B 1483/4885MAP2K4 4595/4885TRPA1 1176/4885 |
| US-20120035178-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | GSK3B 1483/4885MAP2K4 4595/4885TRPA1 1176/4885 |
| US-10407433-B2 | Substituted 4-phenylpiperidines, their preparation and use | HRH4, HRH3, HRH2 | GSK3B 4354/4885MAP2K4 1267/4885TRPA1 2087/4885 |
| US-20090291945-A1 | CYSTEINE PROTEASE INHIBITORS | CTSE, SPINT2, CTSF | GSK3B 3115/4885MAP2K4 4259/4885TRPA1 1467/4885 |
| US-20090270405-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | CHRNA7, CHRNA5, CHRNA6 | GSK3B 1483/4885MAP2K4 4595/4885TRPA1 1176/4885 |
| US-20180030060-A1 | SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE | HRH4, HRH3, HRH2 | GSK3B 4354/4885MAP2K4 1267/4885TRPA1 2087/4885 |
| US-20130131064-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | GSK3B 1483/4885MAP2K4 4595/4885TRPA1 1176/4885 |
| US-11028098-B2 | 4-phenylpiperidines, their preparation and use | HTR3C, HRH4, CYP4F3 | GSK3B 3507/4885MAP2K4 785/4885TRPA1 1167/4885 |
| US-20190031681-A1 | 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE | HTR3C, HRH4, CYP4F3 | GSK3B 3507/4885MAP2K4 785/4885TRPA1 1167/4885 |
| US-10421720-B2 | Octahydrocyclopentapyrroles, their preparation and use | CLN6, ALDH1A2, C1S | GSK3B 3503/4885MAP2K4 4116/4885TRPA1 504/4885 |
“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.