Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.31 |
| ▸ | CTSD | P07339 | 3/20 | 0.31 |
| ▸ | BACE1 | P56817 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL981358 | 0.85 | OPRL1 (0.35) | OPRL1CTSDBACE1ALDH1A1 | |
| SCHEMBL977079 | 0.84 | BACE1 (0.36) | OPRL1CTSDBACE1ALDH1A1 | |
| SCHEMBL4192601 | 0.79 | CTSD (0.37) | OPRL1CTSDBACE1 | |
| SCHEMBL979457 | 0.67 | BACE1 (0.33) | OPRL1CTSDBACE1 | |
| SCHEMBL977080 | 0.66 | BACE1 (0.35) | CTSDBACE1 | |
| SCHEMBL4364342 | 0.66 | L3MBTL1 (0.39) | — | |
| SCHEMBL12654936 | 0.65 | FAAH (0.37) | MEN1KMT2A | |
| SCHEMBL5262276 | 0.64 | S1PR1 (0.37) | CYP2D6ESR1ALDH1A1 | |
| SCHEMBL14463170 | 0.63 | ALDH1A1 (0.47) | CYP2D6MEN1KMT2AESR1ALDH1A1 | |
| SCHEMBL1013637 | 0.62 | RIPK1 (0.34) | CTSDBACE1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8765759-B2 | Monocyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-01 | — | — | US | disclosed |
| EP-2271346-B1 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-01-01 | — | — | EP | disclosed |
| US-20120121508-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | US | disclosed |
| WO-2011014383-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-02-03 | — | — | WO | disclosed |
| US-20110021516-A1 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP (US) | 2011-01-27 | — | — | US | disclosed |
| EP-2271346-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-12 | — | — | EP | 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-20110021516-A1 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | CCKAR, CALCRL, CCKBR | CACNA1B 364/4885CYP2D6 796/4885OPRL1 31/4885 |
| US-20120121508-A1 | RADIOLABELED CGRP ANTAGONISTS | CALCRL, CALCR, GRPR | CACNA1B 471/4885CYP2D6 2719/4885OPRL1 4/4885 |
“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.