Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | RXRG | P48443 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1225267 | 0.96 | DPP4 (0.32) | SLC6A3ARRXRARXRBRXRG | |
| SCHEMBL3700707 | 0.80 | — | — | |
| SCHEMBL4371815 | 0.74 | — | — | |
| SCHEMBL3695612 | 0.74 | CTSS (0.34) | SLC6A3MAPT | |
| SCHEMBL4192601 | 0.71 | CTSD (0.37) | ERAP1 | |
| Trifluoroacetic Acid SCHEMBL1225268 | 0.69 | TACR1 (0.33) | RXRARXRBRXRG | |
| SCHEMBL8376352 | 0.68 | CES2 (0.41) | SLC6A3MAPTKCNN4RXRARXRB | |
| SCHEMBL12079275 | 0.68 | APP (0.45) | SLC6A3MAPTKCNN4RXRARXRB | |
| SCHEMBL8377598 | 0.68 | CES2 (0.41) | SLC6A3MAPTKCNN4RXRARXRB | |
| SCHEMBL6285313 | 0.67 | TSHR (0.41) | MAPTCYP2C19 |
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-8507477-B2 | 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme, Corp. (US) | 2013-08-13 | — | — | US | disclosed |
| US-8507477-B2 | 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme, Corp. (US) | 2013-08-13 | — | — | US | disclosed |
| US-8507477-B2 | 3- and 6-quinolines with N-attached heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme, Corp. (US) | 2013-08-13 | — | — | US | disclosed |
| US-20120121508-A1 | RADIOLABELED CGRP ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-05-17 | — | — | US | disclosed |
| US-20110306604-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| US-20110306604-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | US | disclosed |
| US-20110306604-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LLC | 2011-12-15 | — | — | 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-20120121508-A1 | RADIOLABELED CGRP ANTAGONISTS | CALCRL, CALCR, GRPR | SLC6A3 330/4885MAPT 3832/4885CYP1A2 3285/4885 |
| US-20110306604-A1 | 3- AND 6-QUINOLINES WITH N-ATTACHED HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS | CALCRL, CCKBR, CCKAR | SLC6A3 845/4885MAPT 3119/4885CYP1A2 1045/4885 |
“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.