Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR4 | Q13639 | 1/20 | 0.41 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.40 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.37 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3300241 | 0.89 | HTR4 (0.48) | HTR4CACNA1GCACNA1HOPRL1SLC6A2 | |
| Butane SCHEMBL3838981 | 0.88 | HTR4 (0.41) | HTR4CALCRLOPRL1SLC6A2SLC6A4 | |
| SCHEMBL2255979 | 0.79 | APEX1 (0.58) | CALCRLOPRL1OPRM1OPRD1KCNH2 | |
| SCHEMBL2261807 | 0.77 | SLC6A2 (0.45) | CALCRLOPRL1SLC6A2SLC6A4OPRM1 | |
| SCHEMBL4794621 | 0.73 | JAK2 (0.49) | — | |
| SCHEMBL7645474 | 0.73 | APEX1 (0.48) | — | |
| SCHEMBL12362465 | 0.71 | OPRL1 (0.43) | CALCRLCACNA1GCACNA1HOPRL1OPRM1 | |
| SCHEMBL3826009 | 0.70 | OPRD1 (0.45) | OPRD1KCNH2 | |
| SCHEMBL13011265 | 0.70 | KDM4E (0.46) | — | |
| Hydrochloric Acid SCHEMBL11033286 | 0.69 | HTR4 (0.45) | HTR4OPRL1OPRM1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2146572-B1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2013-11-20 | — | — | EP | disclosed |
| 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-2146572-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008130512-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-10-30 | — | — | WO | 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 |
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 | HTR4 324/4885CALCRL 5/4885CACNA1G 247/4885 |
| US-20100093759-A1 | BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | BDKRB1, BDKRB2, CCKBR | HTR4 282/4885CALCRL 5/4885CACNA1G 447/4885 |
“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.