Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 4/20 | 0.35 |
| ▸ | HTR2C | P28335 | 6/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 5/20 | 0.34 |
| ▸ | HTR2B | P41595 | 5/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4839034 | 0.85 | CCR5 (0.44) | CHRM2CHRM1CCR5HTR2COPRM1 | |
| SCHEMBL10073180 | 0.85 | CYP2D6 (0.47) | ADRB1HTR2COPRM1HTR2AHTR2B | |
| SCHEMBL13169216 | 0.85 | CYP2D6 (0.48) | CHRM2CHRM1CCR5OPRM1OPRD1 | |
| SCHEMBL13169215 | 0.85 | CYP2D6 (0.48) | CHRM2CHRM1CCR5OPRM1OPRD1 | |
| SCHEMBL13169223 | 0.81 | CCR5 (0.45) | CHRM2CHRM1CCR5HTR2CHTR2A | |
| SCHEMBL12954773 | 0.81 | CCR5 (0.45) | CHRM2CHRM1CCR5HTR2CHTR2A | |
| SCHEMBL10083701 | 0.81 | ADRB1 (0.37) | ADRB1HTR2COPRM1OPRD1HTR6 | |
| SCHEMBL15318609 | 0.75 | CHRM2 (0.58) | ADRB1CHRM2CHRM1OPRM1OPRD1 | |
| SCHEMBL28726315 | 0.74 | ADRB1 (0.39) | ADRB1CHRM2CHRM1HTR2COPRM1 | |
| SCHEMBL28492998 | 0.74 | MEN1 (0.45) | CHRM2CHRM1CCR5OPRM1OPRD1 |
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-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-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 |
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 | ADRB1 75/4885CHRM2 117/4885CHRM1 165/4885 |
“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.