Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 18/20 | 0.74 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.73 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.73 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.73 |
| ▸ | CTSK | P43235 | 5/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CTSH | P09668 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | LGMN | Q99538 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL289447 | 1.00 | CTSC (0.74) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL16485746 | 0.91 | CTSC (0.70) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL16485743 | 0.90 | CTSC (0.72) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL16478126 | 0.90 | CTSC (0.72) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2892617 | 0.89 | CTSC (0.73) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2892613 | 0.89 | CTSC (0.73) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2889494 | 0.86 | CTSC (0.82) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2889495 | 0.86 | CTSC (0.82) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2893857 | 0.86 | CTSC (0.77) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2893861 | 0.86 | CTSC (0.77) | CTSCKCNH2LTB4RLTB4R2CTSK |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8193239-B2 | Substituted 1-cyanoethylheterocyclylcarboxamide compounds | ASTRAZENECA AB (SE) | 2012-06-05 | — | — | US | claimed |
| EP-2427445-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | AstraZeneca AB (SE) | 2012-03-14 | — | — | EP | claimed |
| WO-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | claimed |
| US-20100286118-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | US | claimed |
| US-20120329775-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | FORD RHONAN (GB) | 2012-12-27 | — | — | US | disclosed |
| US-8193239-B2 | Substituted 1-cyanoethylheterocyclylcarboxamide compounds | ASTRAZENECA AB (SE) | 2012-06-05 | — | — | US | disclosed |
| EP-2427445-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | AstraZeneca AB (SE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | disclosed |
| US-20100286118-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | 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-20100286118-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 | CTSC 1989/4885KCNH2 332/4885LTB4R 881/4885 |
| US-20120329775-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 | CTSC 1989/4885KCNH2 332/4885LTB4R 881/4885 |
“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.