Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 5/20 | 0.40 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | GYS1 | P13807 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.34 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13053344 | 0.86 | HDAC3 (0.37) | PPARAPPARGHDAC3HDAC1HDAC2 | |
| SCHEMBL2897902 | 0.86 | HDAC3 (0.46) | PPARAHDAC3HDAC1HDAC2NCOR2 | |
| SCHEMBL2834319 | 0.81 | HDAC3 (0.55) | HDAC3HDAC1HDAC2NCOR2CTSL | |
| SCHEMBL31696741 | 0.80 | HDAC3 (0.40) | PPARAPPARGHDAC3HDAC1HDAC2 | |
| SCHEMBL19950236 | 0.79 | CLK1 (0.45) | CTSLCTSBCTSSGRM2 | |
| SCHEMBL24022834 | 0.77 | ABCB1 (0.37) | HDAC3HDAC1HDAC2NCOR2SSTR4 | |
| SCHEMBL3858652 | 0.77 | HDAC3 (0.46) | HDAC3HDAC1HDAC2NCOR2SSTR4 | |
| SCHEMBL7594665 | 0.77 | HDAC3 (0.44) | PPARAPPARGHDAC3HDAC1HDAC2 | |
| SCHEMBL3402058 | 0.77 | SLC6A4 (0.37) | PPARAPPARGHDAC3HDAC1HDAC2 | |
| SCHEMBL2258654 | 0.77 | TAAR1 (0.47) | HDAC3HDAC1HDAC2NCOR2MAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-8372859-B2 | CGRP receptor antagonists with tertiary amide, sulfonamide, carbamate and urea end groups | Merck, Sharp & Dohme Corp. (US) | 2013-02-12 | — | — | US | disclosed |
| US-8372859-B2 | CGRP receptor antagonists with tertiary amide, sulfonamide, carbamate and urea end groups | Merck, Sharp & Dohme Corp. (US) | 2013-02-12 | — | — | US | disclosed |
| US-8372859-B2 | CGRP receptor antagonists with tertiary amide, sulfonamide, carbamate and urea end groups | Merck, Sharp & Dohme Corp. (US) | 2013-02-12 | — | — | US | disclosed |
| US-20100292263-A1 | CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMITE AND UREA GROUPS | MERCK SHARP & DOHME LLC | 2010-11-18 | — | — | US | disclosed |
| US-20100292263-A1 | CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMITE AND UREA GROUPS | MERCK SHARP & DOHME LLC | 2010-11-18 | — | — | US | disclosed |
| US-20100292263-A1 | CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMITE AND UREA GROUPS | MERCK SHARP & DOHME LLC | 2010-11-18 | — | — | US | disclosed |
| EP-2146715-A1 | CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMATE AND UREA END GROUPS | Merck & Co., Inc. (US) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008127584-A1 | CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMATE AND UREA END GROUPS | MERCK & CO., INC. (US) | 2008-10-23 | — | — | WO | disclosed |
| WO-2008127584-A1 | CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMATE AND UREA END GROUPS | MERCK & CO., INC. (US) | 2008-10-23 | — | — | 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-20100292263-A1 | CGRP RECEPTOR ANTAGONISTS WITH TERTIARY AMIDE, SULFONAMIDE, CARBAMITE AND UREA GROUPS | CALCR, QRFPR, CALCRL | PPARA 1546/4885PPARG 795/4885HDAC3 735/4885 |
“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.