Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.55 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.55 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.55 |
| ▸ | BCHE | P06276 | 4/20 | 0.55 |
| ▸ | ACHE | P22303 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL12851943 | 0.85 | KDM4E (0.57) | KDM4EALDH1A1CHRM2GRIN1GRIN2A | |
| SCHEMBL6341212 | 0.85 | KDM4E (0.57) | KDM4EALDH1A1CHRM2GRIN1GRIN2A | |
| SCHEMBL4556504 | 0.84 | MTNR1A (0.61) | KDM4EALDH1A1KMT2AHPGD | |
| Hydrochloric Acid SCHEMBL6341211 | 0.84 | CHRM2 (0.58) | NPSR1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL5695121 | 0.80 | ALDH1A1 (0.79) | NPSR1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL9903526 | 0.80 | HDAC3 (0.50) | GRIN1CYP3A4 | |
| SCHEMBL8458187 | 0.80 | KDM4E (0.55) | KDM4EALDH1A1CHRM2GRIN1GRIN2A | |
| SCHEMBL1520822 | 0.80 | NPSR1 (0.68) | NPSR1KDM4EALDH1A1GAAMAPT | |
| SCHEMBL6234780 | 0.80 | HTR1A (0.47) | NPSR1ALDH1A1CHRM2GRIN1GRIN2A | |
| SCHEMBL9776122 | 0.80 | MTNR1A (0.49) | NPSR1KDM4EALDH1A1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2462141-B1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2017-09-27 | — | — | EP | claimed |
| US-9023847-B2 | Azaheterocyclic compounds | MERCK PATENT GMBH (DE) | 2015-05-05 | — | — | US | claimed |
| US-20120277228-A1 | Novel Azaheterocyclic Compounds | MERCK PATENT GMBH (DE) | 2012-11-01 | — | — | US | claimed |
| EP-2462141-A1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | Merck Patent GmbH (DE) | 2012-06-13 | — | — | EP | claimed |
| EP-2462141-B1 | NOVEL AZAHETEROCYCLIC COMPOUNDS | MERCK PATENT GMBH (DE) | 2017-09-27 | — | — | EP | disclosed |
| US-9023847-B2 | Azaheterocyclic compounds | MERCK PATENT GMBH (DE) | 2015-05-05 | — | — | US | disclosed |
| EP-2178836-B1 | AMIDE ADDITION REACTION | GIVAUDAN SA (CH) | 2013-04-17 | — | — | EP | disclosed |
| US-20120277228-A1 | Novel Azaheterocyclic Compounds | MERCK PATENT GMBH (DE) | 2012-11-01 | — | — | US | disclosed |
| US-7880011-B2 | reacting p-menthanecarboxamide in toluene with 2-vinyl pyridine, 18-crown-6 chelating agent , potassium tert-butoxide (20% in tetrahydrofuran), heating to produce N-(2-pyridin-2-ylethyl)p-menthanecarboxamide[(1R,2S,5R)-2-isopropyl-5-methyl-N-(2-(pyridin-2-yl)ethyl)cyclohexanecarboxamide | Givandan, S.A. (CH) | 2011-02-01 | — | — | US | disclosed |
| EP-2178836-A1 | AMIDE ADDITION REACTION | Givaudan SA (CH) | 2010-04-28 | — | — | EP | disclosed |
| WO-2009012609-A1 | AMIDE ADDITION REACTION | GIVAUDAN SA (CH) | 2009-01-29 | — | — | WO | disclosed |
| US-20090030042-A1 | Amide Addition Reaction | GIVAUDAN, SA. (CH) | 2009-01-29 | — | — | 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 (2 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-20090030042-A1 | Amide Addition Reaction | HRH2, OGDH, MDH2 | NPSR1 3323/4885KDM4E 1278/4885ALDH1A1 2457/4885 |
| US-20120277228-A1 | Novel Azaheterocyclic Compounds | PCNA, MCL1, MYC | NPSR1 4374/4885KDM4E 1252/4885ALDH1A1 1038/4885 |
“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.