Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.56 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18764319 | 0.87 | RXRA (0.57) | RXRANR4A2L3MBTL1LMNATSHR | |
| SCHEMBL18764357 | 0.87 | LMNA (0.64) | RXRANR4A2L3MBTL1LMNATSHR | |
| SCHEMBL10083704 | 0.78 | L3MBTL1 (0.62) | L3MBTL1LMNARAB9AKMT2ANPC1 | |
| SCHEMBL22732811 | 0.77 | RAB9A (0.53) | RXRANR4A2L3MBTL1LMNATSHR | |
| SCHEMBL26936148 | 0.76 | S1PR1 (0.40) | RXRANR4A2LMNATSHRKMT2A | |
| SCHEMBL22745802 | 0.76 | RXRA (0.47) | RXRANR4A2KMT2ATP53 | |
| SCHEMBL17694643 | 0.76 | L3MBTL1 (0.54) | L3MBTL1LMNARAB9AKMT2ANPC1 | |
| SCHEMBL89125 | 0.76 | L3MBTL1 (0.60) | L3MBTL1LMNARAB9AKMT2ANPC1 | |
| SCHEMBL12009458 | 0.75 | SMN1; SMN2 (0.45) | RXRANR4A2L3MBTL1LMNATSHR | |
| SCHEMBL31516574 | 0.74 | RXRA (0.70) | RXRANR4A2TSHRRAB9AKMT2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8114879-B2 | 4-piperazine-4-piperidine-1-ketone derivatives; graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides | SCHERING CORPORATION (US) | 2012-02-14 | — | — | US | disclosed |
| US-20110059154-A1 | CCR5 ANTAGONISTS AS PROPHYLACTICS FOR PREVENTING HIV INFECTION AND METHODS OF INHIBITING TRANSMISSION OF SAME | MERCK SHARP & DOHME CORP. | 2011-03-10 | — | — | US | disclosed |
| US-7825121-B2 | Piperazine derivatives useful as CCR5 antagonists | SCHERING CORPORATION (US) | 2010-11-02 | — | — | US | disclosed |
| US-7825121-B2 | Piperazine derivatives useful as CCR5 antagonists | SCHERING CORPORATION (US) | 2010-11-02 | — | — | US | disclosed |
| US-20080249111-A1 | Piperdine Derivatives as CCR5 Inhibitors | NOVARTIS AG | 2008-10-09 | — | — | US | disclosed |
| US-20080188485-A1 | PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | SCHERING CORPORATION | 2008-08-07 | — | — | US | disclosed |
| US-7399771-B2 | Piperidine derivatives as CCR5 inhibitors | NOVARTIS AG (CH) | 2008-07-15 | — | — | US | disclosed |
| US-7399771-B2 | Piperidine derivatives as CCR5 inhibitors | NOVARTIS AG (CH) | 2008-07-15 | — | — | US | disclosed |
| US-7384944-B2 | Piperazine derivatives useful as CCR5 antagonists | SCHERING CORPORATION (US) | 2008-06-10 | — | — | US | disclosed |
| US-7384944-B2 | Piperazine derivatives useful as CCR5 antagonists | SCHERING CORPORATION (US) | 2008-06-10 | — | — | US | disclosed |
| US-7247631-B2 | Pegylated interferon alfa-CCR5 antagonist combination HIV therapy | SCHERING CORPORATION (US) | 2007-07-24 | — | — | 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-20110059154-A1 | CCR5 ANTAGONISTS AS PROPHYLACTICS FOR PREVENTING HIV INFECTION AND METHODS OF INHIBITING TRANSMISSION OF SAME | CCR5, CCL5, CCR2 | RXRA 316/4885NR4A2 769/4885L3MBTL1 2062/4885 |
| US-20080188485-A1 | PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | CCR5, CXCR3, CCR2 | RXRA 399/4885NR4A2 271/4885L3MBTL1 2750/4885 |
| US-20080249111-A1 | Piperdine Derivatives as CCR5 Inhibitors | CCR5, CCR2, CCR1 | RXRA 723/4885NR4A2 572/4885L3MBTL1 3469/4885 |
“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.