Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.40 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3829429 | 0.85 | CYP3A4 (0.41) | CYP3A4HPGDACHECXCR2POLB | |
| SCHEMBL3765038 | 0.84 | CYP2C9 (0.37) | CYP3A4HPGDCXCR2POLBCA12 | |
| SCHEMBL2380488 | 0.83 | HSD11B1 (0.44) | CYP3A4HPGDCXCR2POLBCA1 | |
| SCHEMBL29499587 | 0.82 | POLB (0.38) | CYP3A4HPGDCXCR2POLBCA1 | |
| SCHEMBL28162652 | 0.82 | CXCR2 (0.36) | CYP3A4HPGDACHECXCR2NOTUM | |
| SCHEMBL10073222 | 0.81 | CXCR2 (0.40) | CXCR2CA1CA2HSD11B1CXCR1 | |
| SCHEMBL732952 | 0.80 | NOTUM (0.45) | CXCR2NOTUMPOLBCA12CA1 | |
| SCHEMBL4391166 | 0.80 | NOTUM (0.45) | CXCR2NOTUMPOLBCA12CA1 | |
| SCHEMBL7422254 | 0.78 | SLC7A5 (0.43) | HPGDCXCR2NOTUMPOLBCA12 | |
| SCHEMBL25314535 | 0.77 | NOTUM (0.45) | NOTUMCA12CA1CA2CA7 |
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 9 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-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-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-20080188485-A1 | PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | SCHERING CORPORATION | 2008-08-07 | — | — | US | disclosed |
| US-20080188485-A1 | PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | SCHERING CORPORATION | 2008-08-07 | — | — | 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 |
| WO-2007050375-A2 | PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | SCHERING CORPORATION (US) | 2007-05-03 | — | — | 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-20080188485-A1 | PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS | CCR5, CXCR3, CCR2 | CYP3A4 792/4885HPGD 2745/4885ACHE 3742/4885 |
“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.