Known targets — ChEMBL curated mechanism
ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 known ✓ | P35354 | 3/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | PRMT5 | O14744 | 6/20 | 0.35 |
| ▸ | WDR77 | Q9BQA1 | 6/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 1/20 | 0.33 |
| ▸ | CTPS1 | P17812 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | PTGES | O14684 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12024920 | 0.87 | CYP11B2 (0.41) | CYP11B2PRMT5WDR77PDE10ACAMKK2 | |
| SCHEMBL2276825 | 0.85 | ATM (0.44) | CYP11B2PRMT5WDR77HCRTR1HCRTR2 | |
| SCHEMBL12044408 | 0.78 | CYP2A6 (0.38) | CYP11B2PDE10ACYP2A6LRRK2 | |
| SCHEMBL8082744 | 0.72 | CYP11B2 (0.35) | CYP11B2PDE10AAPLNRCTPS1CYP2A6 | |
| SCHEMBL2881061 | 0.72 | HCRTR2 (0.59) | HCRTR1HCRTR2 | |
| SCHEMBL7877414 | 0.72 | ACVR2A (0.38) | CYP11B2PRMT5WDR77PDE10ACAMKK2 | |
| SCHEMBL438348 | 0.71 | ATM (0.41) | CYP11B2PRMT5WDR77PDE10AAPLNR | |
| SCHEMBL2283590 | 0.70 | HCRTR2 (0.50) | HCRTR1HCRTR2 | |
| SCHEMBL10133638 | 0.69 | CYP11B2 (0.35) | CYP11B2PDE10AAPLNRCYP2A6LRRK2 | |
| SCHEMBL12024794 | 0.65 | PLAT (0.40) | HSD11B1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110301140-A1 | Pyridine Carboxamide orexin Receptor Antagonists | BERGMAN JEFFREY M (US) | 2011-12-08 | — | — | US | disclosed |
| US-8003797-B2 | Pyridine carboxamide orexin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-08-23 | — | — | US | disclosed |
| US-20100197652-A1 | PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. | 2010-08-05 | — | — | US | disclosed |
| EP-2184981-A1 | PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009020642-A1 | PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-02-12 | — | — | 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 (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-20100197652-A1 | PYRIDINE CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | HCRTR2, HCRTR1, NPY1R | PTGS2 1600/4885CYP11B2 815/4885PRMT5 1041/4885 |
| US-20110301140-A1 | Pyridine Carboxamide orexin Receptor Antagonists | HCRTR2, HCRTR1, NPY1R | PTGS2 1600/4885CYP11B2 815/4885PRMT5 1041/4885 |
“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.