Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 4/20 | 0.53 |
| ▸ | GABRP | O00591 | 4/20 | 0.48 |
| ▸ | GABRD | O14764 | 4/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.48 |
| ▸ | GABRB1 | P18505 | 4/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.48 |
| ▸ | GABRA4 | P48169 | 4/20 | 0.48 |
| ▸ | GABRE | P78334 | 4/20 | 0.48 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.48 |
| ▸ | GABRG1 | Q8N1C3 | 4/20 | 0.48 |
| ▸ | GABRG3 | Q99928 | 4/20 | 0.48 |
| ▸ | GABRQ | Q9UN88 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30257855 | 0.84 | AURKA (0.50) | AURKAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL1238432 | 0.84 | AURKA (0.50) | AURKAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL23119573 | 0.83 | CDK5 (0.59) | AURKAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL5956462 | 0.81 | AURKA (0.51) | AURKAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL699273 | 0.80 | LMNA (0.65) | AURKAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL29367625 | 0.80 | LMNA (0.65) | AURKAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL30615483 | 0.78 | AURKA (0.48) | AURKAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL21463568 | 0.78 | AURKA (0.48) | AURKAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL21463957 | 0.78 | AURKA (0.48) | AURKAGABRPGABRDGABRA1GABRB1 | |
| SCHEMBL30615444 | 0.78 | AURKA (0.48) | AURKAGABRPGABRDGABRA1GABRB1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8173655-B2 | Bicyclic anilide heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-05-08 | — | — | US | disclosed |
| US-8003792-B2 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs | MERCK SHARP & DOHME CORP. (US) | 2011-08-23 | — | — | US | disclosed |
| US-20100093759-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-04-15 | — | — | US | disclosed |
| EP-1797073-B1 | BICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2010-04-14 | — | — | EP | disclosed |
| EP-1608627-B1 | BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2008-05-07 | — | — | EP | disclosed |
| US-20080096878-A1 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs | MERCK SHARP & DOHME LLC | 2008-04-24 | — | — | US | disclosed |
| US-7202251-B2 | Bicyclic anilide spirohydantoin CGRP receptor antagonists | MERCK & CO., INC. (US) | 2007-04-10 | — | — | 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-20080096878-A1 | CGRP (Calcitonin Gene-Related Peptide); migraine and cluster headaches; 2-(5-Bromo-1'1'-dioxido-2-oxo-2',3',5',6'-tetrahydrospiro[indole-3,4'-thiopyran]-1 (2H)-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridin]-5-yl)acetamide for example; use with other drugs | CALCB, BDKRB2, BDKRB1 | AURKA 1570/4885GABRP 760/4885GABRD 1186/4885 |
| US-20100093759-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | BDKRB1, BDKRB2, CCKBR | AURKA 3339/4885GABRP 244/4885GABRD 261/4885 |
“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.