Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.40 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL12121845 | 0.91 | CCR1 (0.51) | CCR1CHRM2CCR5S1PR5KCNH2 | |
| SCHEMBL13824432 | 0.90 | CCR1 (0.48) | CCR1CHRM2CCR5S1PR5AVPR1A | |
| SCHEMBL10287557 | 0.90 | CCR1 (0.49) | CCR1CHRM2CCR5S1PR5AVPR1A | |
| SCHEMBL14579627 | 0.90 | CCR1 (0.49) | CCR1CHRM2CCR5S1PR5KCNH2 | |
| SCHEMBL14420122 | 0.90 | CCR1 (0.49) | CCR1CHRM2CCR5S1PR5KCNH2 | |
| SCHEMBL13824439 | 0.89 | CCR1 (0.52) | CCR1CHRM2CCR5S1PR5AVPR1A | |
| SCHEMBL16312643 | 0.88 | CCR1 (0.48) | CCR1CHRM2CCR5S1PR5AVPR1A | |
| SCHEMBL15478312 | 0.88 | CCR1 (0.48) | CCR1CHRM2CCR5S1PR5AVPR1A | |
| SCHEMBL16312659 | 0.88 | CCR1 (0.51) | CCR1CHRM2CCR5S1PR5AVPR1A | |
| SCHEMBL14419972 | 0.88 | CCR1 (0.47) | CCR1CHRM2CCR5S1PR5AVPR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7541365-B2 | Chemokine receptor antagonists and methods of use therefor | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2009-06-02 | — | — | US | disclosed |
| US-7271176-B2 | Chemokine receptor antagonists and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2007-09-18 | — | — | US | disclosed |
| US-20070060592-A1 | heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation | MILLENNIUM PHARMACEUTICALS, INC. | 2007-03-15 | — | — | 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-20070060592-A1 | heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation | THPO, NFATC1, HPGDS | CCR1 19/4885CHRM2 615/4885CCR5 55/4885 |
“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.