Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL221865 | 0.85 | SMN1; SMN2 (0.48) | SMN1; SMN2L3MBTL1KMT2ABLMKDM4E | |
| SCHEMBL1868425 | 0.78 | SMN1; SMN2 (0.46) | SMN1; SMN2TSHRL3MBTL1KMT2AALDH1A1 | |
| SCHEMBL9275948 | 0.74 | SMN1; SMN2 (0.41) | SMN1; SMN2TSHRL3MBTL1KMT2AALDH1A1 | |
| SCHEMBL27662424 | 0.74 | TSHR (0.73) | SMN1; SMN2TSHRKMT2AALDH1A1NAPRT | |
| Ethylenediamine SCHEMBL28246570 | 0.72 | TSHR (0.76) | SMN1; SMN2TSHRALDH1A1NAPRTTDP1 | |
| SCHEMBL28293509 | 0.72 | TSHR (0.94) | SMN1; SMN2TSHRALDH1A1NAPRTTDP1 | |
| SCHEMBL29896219 | 0.71 | SMN1; SMN2 (0.54) | SMN1; SMN2L3MBTL1KMT2ATDP1BLM | |
| SCHEMBL1872051 | 0.71 | SMN1; SMN2 (0.54) | SMN1; SMN2L3MBTL1KMT2ATDP1BLM | |
| Trifluoromethanesulfonic Acid SCHEMBL2701591 | 0.70 | TSHR (0.73) | SMN1; SMN2TSHRKMT2AALDH1A1NAPRT | |
| Ethylamine SCHEMBL5875345 | 0.70 | TSHR (0.73) | SMN1; SMN2TSHRALDH1A1NAPRTTDP1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1341784-A2 | PROCESS FOR MAKING A THROMBIN INHIBITOR | Merck & Co., Inc. (US) | 2003-09-10 | — | — | EP | claimed |
| US-20020103379-A1 | Process for making a thrombin inhibitor | MERCK SHARP & DOHME LTD. (GB) | 2002-08-01 | — | — | US | claimed |
| WO-2002046160-A2 | PROCESS FOR MAKING A THROMBIN INHIBITOR | MERCK & CO., INC. (US) | 2002-06-13 | — | — | WO | claimed |
| US-20180273476-A1 | AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS | MERCK PATENT GMBH (DE) | 2018-09-27 | — | — | US | disclosed |
| US-9914702-B2 | Amine derivatives as potassium channel blockers | BIONOMICS LIMITED (AU) | 2018-03-13 | — | — | US | disclosed |
| EP-2709985-B1 | AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS | BIONOMICS LTD (AU) | 2017-10-04 | — | — | EP | disclosed |
| US-20170088519-A1 | AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS | BIONOMICS, LTD (AU) | 2017-03-30 | — | — | US | disclosed |
| US-9493451-B2 | Amine derivatives as potassium channel blockers | BIONOMICS LIMITED (AU) | 2016-11-15 | — | — | US | disclosed |
| US-20150299184-A1 | Amine Derivatives as Potassium Channel Blockers | BIONOMICS LIMITED (AU) | 2015-10-22 | — | — | US | disclosed |
| US-20140336198-A1 | Amine Derivatives as Potassium Channel Blockers | MERCK PATENT GMBH (DE) | 2014-11-13 | — | — | US | disclosed |
| EP-2709985-A1 | AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS | Bionomics Limited (AU) | 2014-03-26 | — | — | EP | disclosed |
| US-8541580-B2 | Process for the preparation of pyrazinone thrombin inhibitor and its intermediates | DIAKRON PHARMACEUTICALS, INC. (US) | 2013-09-24 | — | — | US | disclosed |
| WO-2012155199-A1 | AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS | BIONOMICS LIMITED (AU) | 2012-11-22 | — | — | WO | disclosed |
| EP-2496087-A1 | PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES | Diakron Pharmaceuticals, Inc. (US) | 2012-09-12 | — | — | EP | disclosed |
| WO-2011056806-A1 | PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES | DIAKRON PHARMACEUTICALS, INC. (US) | 2011-05-12 | — | — | WO | disclosed |
| US-20110105753-A1 | PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES | DIAKRON PHARMACEUTICALS, INC. (US) | 2011-05-05 | — | — | US | disclosed |
| EP-1341784-A2 | PROCESS FOR MAKING A THROMBIN INHIBITOR | Merck & Co., Inc. (US) | 2003-09-10 | — | — | EP | disclosed |
| US-20020103379-A1 | Process for making a thrombin inhibitor | MERCK SHARP & DOHME LTD. (GB) | 2002-08-01 | — | — | US | disclosed |
| WO-2002046160-A2 | PROCESS FOR MAKING A THROMBIN INHIBITOR | MERCK & CO., INC. (US) | 2002-06-13 | — | — | 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 (6 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-20170088519-A1 | AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS | KCNA3, KCNH3, KCNK3 | SMN1; SMN2 2666/4885TSHR 3142/4885L3MBTL1 3942/4885 |
| US-20020103379-A1 | Process for making a thrombin inhibitor | TFPI, TFPI2, F2 | SMN1; SMN2 3812/4885TSHR 1090/4885L3MBTL1 4675/4885 |
| US-20180273476-A1 | AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS | KCNA3, KCNH3, KCNK3 | SMN1; SMN2 2666/4885TSHR 3142/4885L3MBTL1 3942/4885 |
| US-20110105753-A1 | PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES | TFPI, TFPI2, F2 | SMN1; SMN2 4456/4885TSHR 345/4885L3MBTL1 4752/4885 |
| US-20140336198-A1 | Amine Derivatives as Potassium Channel Blockers | KCNA3, KCNH3, KCNK3 | SMN1; SMN2 2666/4885TSHR 3142/4885L3MBTL1 3942/4885 |
| US-20150299184-A1 | Amine Derivatives as Potassium Channel Blockers | KCNA3, KCNH3, KCNK3 | SMN1; SMN2 2666/4885TSHR 3142/4885L3MBTL1 3942/4885 |
“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.