Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | MC4R | P32245 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3520635 | 0.89 | SIGMAR1 (0.56) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL2085642 | 0.84 | MC4R (0.69) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL3837603 | 0.84 | SIGMAR1 (0.56) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL21337448 | 0.84 | SIGMAR1 (0.67) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL1206594 | 0.82 | SIGMAR1 (0.65) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL6191540 | 0.81 | CYP3A4 (0.50) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR | |
| SCHEMBL102338 | 0.80 | SIGMAR1 (0.71) | SIGMAR1TSHRALDH1A1POLBMEN1 | |
| SCHEMBL6200777 | 0.80 | SIGMAR1 (0.71) | SIGMAR1TSHRALDH1A1POLBMEN1 | |
| SCHEMBL15540512 | 0.80 | SIGMAR1 (0.60) | CYP3A4HSD17B10SIGMAR1POLBMC4R | |
| SCHEMBL2086022 | 0.78 | OPRM1 (0.56) | CYP3A4HSD17B10SIGMAR1OPRL1TSHR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7897603-B2 | Selected CGRP-antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-03-01 | — | — | US | disclosed |
| US-20090253680-A1 | SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-10-08 | — | — | US | disclosed |
| US-7582625-B2 | Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-09-01 | — | — | US | disclosed |
| CN-101273021-A | Selected CGRP antagonists, methods for the production thereof and their use as medicaments | BOEHRINGER INGELHEIM INT (DE) | 2008-09-24 | — | — | CN | disclosed |
| EP-1931647-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-06-18 | — | — | EP | disclosed |
| WO-2007036532-A2 | SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-04-05 | — | — | WO | disclosed |
| EP-1770086-A1 | Selected CGRP antagonists, process for their preparation as well as their use as medicaments | Boehringer Ingelheim Pharma GmbH & Co. KG (DE) | 2007-04-04 | — | — | EP | disclosed |
| US-20070072847-A1 | -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-03-29 | — | — | 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-20070072847-A1 | -(4-Hydroxy-3,5-dimethyl-benzyl)-2-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-2-oxo-ethyl 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylate; headaches; non-insulin dependent diabetes; antidiabetic agents; cardiovascular/nervous system disorders; antiinflammatory agents | GPR119, HTR1D, TRPV1 | CYP3A4 664/4885HSD17B10 2867/4885SIGMAR1 118/4885 |
| US-20090253680-A1 | SELECTED CGRP-ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | CALCRL, CALCR, BDKRB2 | CYP3A4 1141/4885HSD17B10 3577/4885SIGMAR1 590/4885 |
“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.