Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCRL | Q16602 | 8/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 9/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL12206884 | 1.00 | CALCRL (0.46) | CALCRLP2RX7HTR2CHTR2BHTR1A | |
| SCHEMBL828499 | 0.87 | HTR1A (0.40) | CALCRLP2RX7HTR2CHTR2BHTR1A | |
| SCHEMBL1672874 | 0.87 | P2RX7 (0.51) | CALCRLP2RX7 | |
| SCHEMBL2518158 | 0.87 | P2RX7 (0.51) | CALCRLP2RX7 | |
| SCHEMBL2514921 | 0.87 | P2RX7 (0.51) | CALCRLP2RX7 | |
| SCHEMBL12801801 | 0.87 | P2RX7 (0.51) | CALCRLP2RX7 | |
| SCHEMBL21134412 | 0.85 | CALCRL (0.45) | CALCRLP2RX7HTR2CHTR2BHTR1A | |
| SCHEMBL12206901 | 0.85 | HTR1A (0.39) | CALCRLP2RX7HTR2CHTR2BHTR1A | |
| SCHEMBL25967757 | 0.85 | CALCRL (0.45) | CALCRLP2RX7HTR2CHTR2BHTR1A | |
| SCHEMBL12206910 | 0.85 | CALCRL (0.45) | CALCRLP2RX7HTR2CHTR2BHTR1A |
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-8759372-B2 | N-(5S,6S,9R)-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-ctclohepta[b]Pyridin-9-yl-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-carboxylate salt | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-06-24 | — | — | US | disclosed |
| US-20130225636-A1 | N-(5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]PYRIDIN-9-YL-4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-1-YL)PIPERIDINE-1-CARBOXYLATE SALT | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-08-29 | — | — | US | disclosed |
| US-20130053570-A1 | CGRP Receptor Antagonists | BRISTOL MYERS SQUIBB CO (US) | 2013-02-28 | — | — | US | disclosed |
| US-8314117-B2 | CGRP receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-11-20 | — | — | US | disclosed |
| US-8143403-B2 | CGRP receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-27 | — | — | US | disclosed |
| US-20120010402-A1 | CGRP Receptor Antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2012-01-12 | — | — | US | disclosed |
| US-20110251223-A1 | CGRP Receptor Antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2011-10-13 | — | — | 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 (4 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-20120010402-A1 | CGRP Receptor Antagonists | CALCRL, BDKRB2, CALCR | CALCRL 1/4885P2RX7 182/4885HTR2C 501/4885 |
| US-20130053570-A1 | CGRP Receptor Antagonists | CALCRL, BDKRB2, CALCR | CALCRL 1/4885P2RX7 188/4885HTR2C 396/4885 |
| US-20130225636-A1 | N-(5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA[B]PYRIDIN-9-YL-4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-1-YL)PIPERIDINE-1-CARBOXYLATE SALT | HTR5A, PTGIS, HRH4 | CALCRL 7/4885P2RX7 176/4885HTR2C 100/4885 |
| US-20110251223-A1 | CGRP Receptor Antagonists | CALCRL, BDKRB2, CALCR | CALCRL 1/4885P2RX7 188/4885HTR2C 396/4885 |
“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.