Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | NOS3 | P29474 | 2/20 | 0.37 |
| ▸ | NOS1 | P29475 | 2/20 | 0.37 |
| ▸ | NOS2 | P35228 | 2/20 | 0.37 |
| ▸ | SYK | P43405 | 2/20 | 0.36 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.35 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17007252 | 0.78 | HCRTR1 (0.48) | KDM1ANOS3NOS1NOS2HCRTR1 | |
| SCHEMBL17017312 | 0.77 | MAP4K4 (0.37) | KDM1ANOS3NOS2SYKCXCR4 | |
| SCHEMBL3840511 | 0.76 | HRH1 (0.42) | L3MBTL1SMN1; SMN2GRIN1GRIN2B | |
| SCHEMBL16548464 | 0.74 | KDM4E (0.49) | KDM4EALDH1A1L3MBTL1KDM1AMAOA | |
| SCHEMBL17017310 | 0.72 | PKM (0.44) | KDM4EALDH1A1L3MBTL1KDM1AMAOA | |
| SCHEMBL3257018 | 0.71 | KDM4E (0.39) | KDM4EALDH1A1L3MBTL1KDM1AMAOA | |
| SCHEMBL3161248 | 0.70 | CHRNB2 (0.46) | — | |
| SCHEMBL5688027 | 0.69 | GBA1 (0.42) | KDM1AMAOAMAOBNOS3NOS1 | |
| SCHEMBL13452624 | 0.69 | HTR1D (0.49) | — | |
| SCHEMBL10941749 | 0.68 | TDP1 (0.37) | ALDH1A1NOS3NOS1NOS2SYK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10011588-B2 | 1,2-substituted cyclopentanes as orexin receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-07-03 | — | — | US | disclosed |
| US-20170066744-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-03-09 | — | — | US | disclosed |
| US-9156829-B2 | Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-10-13 | — | — | US | disclosed |
| US-20150232460-A1 | NOVEL COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-08-20 | — | — | 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 (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-10011588-B2 | 1,2-substituted cyclopentanes as orexin receptor antagonists | HCRTR1, HCRTR2, NPY1R | KDM4E 1154/4885ALDH1A1 552/4885L3MBTL1 3078/4885 |
| US-20170066744-A1 | 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS | HCRTR1, HCRTR2, NPY1R | KDM4E 1154/4885ALDH1A1 552/4885L3MBTL1 3078/4885 |
| US-20150232460-A1 | NOVEL COMPOUNDS | CNKSR1, RDX, RB1 | KDM4E 1465/4885ALDH1A1 531/4885L3MBTL1 1678/4885 |
“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.