Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 20/20 | 0.43 |
| ▸ | MAP2K2 | P36507 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16502189 | 0.83 | CALCRL (0.39) | CALCRLCYP3A4 | |
| SCHEMBL12511950 | 0.80 | CALCRL (0.49) | CALCRLCYP3A4 | |
| SCHEMBL2213073 | 0.79 | CALCRL (0.49) | CALCRLCYP3A4 | |
| SCHEMBL13792063 | 0.79 | CALCRL (0.49) | CALCRLCYP3A4 | |
| Hydrochloric Acid SCHEMBL1892110 | 0.78 | CALCRL (0.49) | CALCRLCYP3A4 | |
| Hydrochloric Acid SCHEMBL1892113 | 0.78 | CALCRL (0.49) | CALCRLCYP3A4 | |
| SCHEMBL13792135 | 0.78 | CALCRL (0.53) | CALCRLCYP3A4 | |
| SCHEMBL14189741 | 0.77 | CALCRL (0.49) | CALCRLCYP3A4 | |
| SCHEMBL1895077 | 0.76 | CALCRL (0.51) | CALCRL | |
| SCHEMBL13791610 | 0.75 | CALCRL (0.51) | CALCRLCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2091533-B1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-11-28 | — | — | EP | disclosed |
| 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 |
| WO-2008073251-A1 | CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2008-06-19 | — | — | 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 (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 1/4885MAP2K2 4275/4885CYP3A4 3420/4885 |
“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.