Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 3/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | PLK4 | O00444 | 1/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.30 |
| ▸ | AURKA | O14965 | 1/20 | 0.30 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | CSF1R | P07333 | 1/20 | 0.30 |
| ▸ | RET | P07949 | 1/20 | 0.30 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.30 |
| ▸ | LTK | P29376 | 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 | |
|---|---|---|---|---|
| SCHEMBL4309190 | 0.75 | NOS1 (0.34) | MAPTPTK2TRPA1NOS1FGFR1 | |
| SCHEMBL4302971 | 0.75 | NOS1 (0.52) | MAPTPTK2TRPA1NOS1FGFR1 | |
| SCHEMBL18188515 | 0.75 | NOS1 (0.52) | MAPTPTK2NOS1FGFR1HSP90AA1 | |
| SCHEMBL4310448 | 0.75 | ALDH1A1 (0.42) | MAPTALDH1A1TRPA1RETKDM4E | |
| SCHEMBL18188190 | 0.72 | JAK2 (0.34) | MAPTNOS1CDK2AURKADAPK3 | |
| SCHEMBL19153196 | 0.70 | MAPT (0.47) | MAPTHTTPTK2ALDH1A1TRPA1 | |
| SCHEMBL18188598 | 0.68 | AKT1 (0.44) | TRPA1NOS1FGFR1HSP90AA1IDO1 | |
| SCHEMBL1911926 | 0.68 | NOS1 (0.59) | MAPTHTTPTK2ALDH1A1TRPA1 | |
| SCHEMBL27229480 | 0.67 | TRPA1 (0.49) | MAPTHTTPTK2ALDH1A1TRPA1 | |
| SCHEMBL18188324 | 0.67 | IDO1 (0.39) | ALDH1A1TRPA1NOS1FGFR1HSP90AA1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7569578-B2 | Heterocyclic anti-migraine agents | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2009-08-04 | — | — | US | claimed |
| US-7449586-B2 | Processes for the preparation of CGRP-receptor antagonists and intermediates thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-11 | — | — | US | claimed |
| EP-1689738-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | Bristol-Myers Squibb Company (US) | 2006-08-16 | — | — | EP | claimed |
| WO-2006060678-A2 | NOVEL PROCESSES FOR THE PREPARATION OF CGRP-RECEPTOR ANTAGONISTS AND INTERMEDIATES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-06-08 | — | — | WO | claimed |
| US-20060122250-A1 | Novel processes for the preparation of CGRP-receptor antagonists and intermediates thereof | BRISTOL-MYERS SQUIBB COMPANY | 2006-06-08 | — | — | US | claimed |
| US-20050153959-A1 | 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache | BRISTOL-MYERS SQUIBB COMPANY | 2005-07-14 | — | — | US | claimed |
| WO-2005056550-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-23 | — | — | WO | claimed |
| CN-113164458-A | Monoacylglycerol lipase modulators | 詹森药业有限公司 | 2021-07-23 | — | — | CN | disclosed |
| EP-1778639-B1 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RES INC (US) | 2015-09-02 | — | — | EP | disclosed |
| EP-2379529-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010070022-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-06-24 | — | — | WO | disclosed |
| US-7569578-B2 | Heterocyclic anti-migraine agents | BRISTOL-MEYERS SQUIBB COMPANY (US) | 2009-08-04 | — | — | US | disclosed |
| US-7449586-B2 | Processes for the preparation of CGRP-receptor antagonists and intermediates thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-11 | — | — | US | disclosed |
| EP-1689738-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | Bristol-Myers Squibb Company (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2006060678-A2 | NOVEL PROCESSES FOR THE PREPARATION OF CGRP-RECEPTOR ANTAGONISTS AND INTERMEDIATES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-06-08 | — | — | WO | disclosed |
| US-20060122250-A1 | Novel processes for the preparation of CGRP-receptor antagonists and intermediates thereof | BRISTOL-MYERS SQUIBB COMPANY | 2006-06-08 | — | — | US | disclosed |
| US-20060063766-A1 | Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. | 2006-03-23 | — | — | US | disclosed |
| US-20050153959-A1 | 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache | BRISTOL-MYERS SQUIBB COMPANY | 2005-07-14 | — | — | US | disclosed |
| WO-2005056550-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-23 | — | — | 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 (3 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-20060063766-A1 | Use of aryl- and heteroaryl-substituted tetrahydroisoquinolines to block reuptake of norepinephrine, dopamine, and serotonin | SLC6A3, SLC6A4, SLC6A2 | MAPT 2119/4885HTT 649/4885PTK2 4447/4885 |
| US-20050153959-A1 | 3-{1-[4-(7-Methyl-1H-indazol-5-yl)-3-pyridin-2-yl-butyryl]-piperidin-4-yl}-3,4-dihydro-1H-quinazolin-2-one; small molecule; non-peptidic; antagonists of calcitonin gene-related peptide receptors (\"CGRP-receptor\"); neurogenic vasodilation and inflammation, cluster headache | CALCRL, CALCA, BDKRB2 | MAPT 2733/4885HTT 4243/4885PTK2 921/4885 |
| US-20060122250-A1 | Novel processes for the preparation of CGRP-receptor antagonists and intermediates thereof | CALCR, CALCRL, CALCB | MAPT 4044/4885HTT 3455/4885PTK2 4413/4885 |
“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.