Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 11/20 | 0.51 |
| ▸ | ADM2 | Q7Z4H4 | 8/20 | 0.49 |
| ▸ | CALCB | P10092 | 8/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1891713 | 0.87 | CALCRL (0.53) | CALCRL | |
| SCHEMBL14189741 | 0.85 | CALCRL (0.49) | CALCRLADM2CALCB | |
| SCHEMBL13792135 | 0.85 | CALCRL (0.53) | CALCRL | |
| SCHEMBL15701566 | 0.84 | CALCRL (0.63) | CALCRL | |
| SCHEMBL436141 | 0.84 | CALCRL (0.63) | CALCRL | |
| SCHEMBL436142 | 0.84 | CALCRL (0.63) | CALCRL | |
| SCHEMBL13791610 | 0.82 | CALCRL (0.51) | CALCRL | |
| SCHEMBL13804217 | 0.81 | CALCRL (0.49) | CALCRL | |
| SCHEMBL14193675 | 0.78 | CALCRL (0.49) | CALCRL | |
| SCHEMBL1891441 | 0.78 | CALCRL (0.57) | CALCRL |
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 |
|---|---|---|---|---|---|---|---|
| EP-2091533-B1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-11-28 | — | — | EP | disclosed |
| US-7951795-B2 | Constrained spirocyclic compounds as CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-31 | — | — | US | disclosed |
| US-7951795-B2 | Constrained spirocyclic compounds as CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-31 | — | — | US | disclosed |
| US-7951795-B2 | Constrained spirocyclic compounds as CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-31 | — | — | US | disclosed |
| US-20100069359-A1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-03-18 | — | — | US | disclosed |
| US-20100069359-A1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-03-18 | — | — | US | disclosed |
| US-20100069359-A1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2010-03-18 | — | — | 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 (1 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-20100069359-A1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | CALCRL, BDKRB1, CALCR | CALCRL 1/4885ADM2 140/4885CALCB 9/4885 |
“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.