Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 10/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.44 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | GRAMD1A | Q96CP6 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
| ▸ | MMP3 | P08254 | 2/20 | 0.43 |
| ▸ | MMP7 | P09237 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 2/20 | 0.43 |
| ▸ | MMP8 | P22894 | 2/20 | 0.43 |
| ▸ | MMP13 | P45452 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22324946 | 0.86 | ALDH1A1 (0.64) | GPR119ALDH1A1MAPTHTTPTPN2 | |
| SCHEMBL27569337 | 0.85 | ALDH1A1 (0.65) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL22759260 | 0.83 | GPR119 (0.62) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL1532538 | 0.83 | GPR119 (0.55) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL4777861 | 0.83 | GPR119 (0.69) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL4777196 | 0.83 | GPR119 (0.59) | GPR119ALDH1A1MAPTMAPK1L3MBTL1 | |
| SCHEMBL1805596 | 0.83 | GPR119 (0.59) | GPR119ALDH1A1PTPN2PTPN1PTPN6 | |
| SCHEMBL23465889 | 0.82 | GPR119 (0.63) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL23411722 | 0.82 | NAMPT (0.56) | GPR119ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL2797073 | 0.82 | STS (0.57) | GPR119ALDH1A1NPC1MAPTMAPK1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7348324-B2 | Cyclic amine compounds as CCR5 antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-03-25 | — | — | US | disclosed |
| EP-1886994-A1 | Cyclic amine compounds as CCR5 antagonists | Takeda Pharmaceutical Company Limited (JP) | 2008-02-13 | — | — | EP | disclosed |
| US-20030114443-A1 | Cyclic amine compounds as CCR5 antagonists | TOBIRA THERAPEUTICS, INC. | 2003-06-19 | — | — | US | disclosed |
| US-6562978-B1 | N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-05-13 | — | — | US | disclosed |
| EP-1220842-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | Takeda Chemical Industries, Ltd. (JP) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001025200-A1 | CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-04-12 | — | — | 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 (1 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-20030114443-A1 | Cyclic amine compounds as CCR5 antagonists | CCR5, CCR1, CCR3 | GPR119 447/4885ALDH1A1 3228/4885NPC1 963/4885 |
“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.