Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4776785 | 0.84 | KCNJ1 (0.49) | ALDH1A1HPGDKCNJ1KDM4EHTT | |
| SCHEMBL4771081 | 0.75 | ALDH1A1 (0.54) | ALDH1A1HPGDKCNJ1KDM4EHTT | |
| SCHEMBL14785781 | 0.71 | ALDH1A1 (0.53) | ALDH1A1HPGDKCNJ1KDM4EHTT | |
| SCHEMBL2732692 | 0.69 | KCNH2 (0.63) | KCNJ1KCNH2 | |
| SCHEMBL16989407 | 0.69 | GPR119 (0.74) | GPR119 | |
| SCHEMBL7466778 | 0.68 | ALDH1A1 (0.60) | ALDH1A1HPGDKCNJ1HTTKCNH2 | |
| SCHEMBL334399 | 0.68 | KCNJ1 (1.00) | ALDH1A1HPGDKCNJ1HTTL3MBTL1 | |
| SCHEMBL4753533 | 0.67 | CHRM3 (0.58) | KCNH2CHRM2CHRM3 | |
| Acetic Acid SCHEMBL11831236 | 0.67 | KCNJ1 (0.68) | ALDH1A1HPGDKCNJ1HTTL3MBTL1 | |
| SCHEMBL15191714 | 0.67 | KCNH2 (0.60) | KCNJ1KCNH2 |
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-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 |
| CN-1390201-A | cyclic amine compounds as CCR5 antagonists | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-08 | — | — | CN | 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 | ALDH1A1 3228/4885HPGD 1334/4885KCNJ1 1229/4885 |
“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.