Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 4/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2171896 | 0.85 | ALDH1A1 (0.59) | ALDH1A1TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL805055 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL5730270 | 0.77 | ALDH1A1 (0.67) | ALDH1A1TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL28392628 | 0.77 | CASR (0.40) | ALDH1A1TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL799897 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL3072555 | 0.77 | ALDH1A1 (0.67) | ALDH1A1TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL3123406 | 0.77 | ALDH1A1 (0.67) | ALDH1A1TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL8014076 | 0.76 | TNF (0.57) | ALDH1A1TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL2000543 | 0.76 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL624781 | 0.76 | TDP1 (1.00) | ALDH1A1TDP1CYP3A4MEN1KMT2A |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170136007-A1 | NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | THE FEINSTEIN INST MEDICAL RES (US) | 2017-05-18 | — | — | US | disclosed |
| US-20170136007-A1 | NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | THE FEINSTEIN INST MEDICAL RES (US) | 2017-05-18 | — | — | US | disclosed |
| US-9428522-B2 | Piperazines, pharmaceutical compositions and methods of use thereof | THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) | 2016-08-30 | — | — | US | disclosed |
| US-20160101104-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB CO (US) | 2016-04-14 | — | — | US | disclosed |
| US-20150342935-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB CO (US) | 2015-12-03 | — | — | US | disclosed |
| US-20150094309-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL MYERS SQUIBB CO (US) | 2015-04-02 | — | — | US | disclosed |
| US-20140343059-A1 | NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH | 2014-11-20 | — | — | US | disclosed |
| US-8822472-B2 | Piperazines, pharmaceutical compositions and methods of use thereof | CORNERSTONE THERAPEUTICS, INC. (US) | 2014-09-02 | — | — | US | disclosed |
| US-20140221377-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL MYERS SQUIBB CO (US) | 2014-08-07 | — | — | 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-20120071652-A1 | Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof | CORNERSTONE THERAPEUTICS, INC. (US) | 2012-03-22 | — | — | 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-20120035189-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | BRISTOL-MYERS SQUIBB COMPANY | 2012-02-09 | — | — | US | disclosed |
| US-7943622-B2 | Piperazines, pharmaceutical compositions and methods of use thereof | CORNERSTONE THERAPEUTICS, INC. (US) | 2011-05-17 | — | — | 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-20090270405-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-29 | — | — | US | disclosed |
| US-20080051415-A1 | Novel piperazines, pharmaceutical compositions and methods of use thereof | THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH | 2008-02-28 | — | — | 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 (13 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 | ALDH1A1 1082/4885TDP1 689/4885CYP3A4 2815/4885 |
| US-20120035189-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | ALDH1A1 1082/4885TDP1 689/4885CYP3A4 2815/4885 |
| US-20120035178-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | ALDH1A1 1082/4885TDP1 689/4885CYP3A4 2815/4885 |
| US-20140221377-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | ALDH1A1 1082/4885TDP1 689/4885CYP3A4 2815/4885 |
| US-20140343059-A1 | NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | CHRNA7, CHRNA5, CHRNA2 | ALDH1A1 1032/4885TDP1 2816/4885CYP3A4 2102/4885 |
| US-20090270405-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | CHRNA7, CHRNA5, CHRNA6 | ALDH1A1 1082/4885TDP1 689/4885CYP3A4 2815/4885 |
| US-20120071652-A1 | Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof | CHRNA7, CHRNA5, CHRNA2 | ALDH1A1 1032/4885TDP1 2816/4885CYP3A4 2102/4885 |
| US-20130131064-A1 | Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands | CHRNA7, CHRNA5, CHRNA6 | ALDH1A1 1082/4885TDP1 689/4885CYP3A4 2815/4885 |
| US-20160101104-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | CHRNA7, CHRNA5, CHRNA6 | ALDH1A1 1082/4885TDP1 689/4885CYP3A4 2815/4885 |
| US-20150342935-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | CHRNA7, CHRNA5, CHRNA6 | ALDH1A1 1082/4885TDP1 689/4885CYP3A4 2815/4885 |
| US-20170136007-A1 | NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | CHRNA7, CHRNA5, CHRM5 | ALDH1A1 814/4885TDP1 2721/4885CYP3A4 2066/4885 |
| US-20150094309-A1 | QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | CHRNA7, CHRNA5, CHRNA6 | ALDH1A1 1082/4885TDP1 689/4885CYP3A4 2815/4885 |
| US-20080051415-A1 | Novel piperazines, pharmaceutical compositions and methods of use thereof | CHRNA7, CHRNA5, CHRNA2 | ALDH1A1 1032/4885TDP1 2816/4885CYP3A4 2102/4885 |
“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.