Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR2 | O60603 | 8/20 | 0.53 |
| ▸ | TLR1 | Q15399 | 7/20 | 0.53 |
| ▸ | CCR5 | P51681 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.43 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7921209 | 1.00 | TLR2 (0.53) | TLR2TLR1CCR5CYP1A2CYP3A4 | |
| SCHEMBL2799214 | 1.00 | TLR2 (0.53) | TLR2TLR1CCR5CYP1A2CYP3A4 | |
| SCHEMBL7932432 | 0.80 | LMNA (0.49) | TLR2TLR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2797980 | 0.80 | LMNA (0.49) | TLR2TLR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1938358 | 0.80 | LMNA (0.49) | TLR2TLR1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL1972533 | 0.74 | TLR2 (0.43) | TLR2TLR1MEN1KMT2A | |
| SCHEMBL1969431 | 0.74 | TLR2 (0.43) | TLR2TLR1MEN1KMT2A | |
| SCHEMBL13229941 | 0.73 | EPHX2 (0.51) | TLR2TLR1MEN1KMT2ALMNA | |
| SCHEMBL16565830 | 0.73 | CHRNB2 (0.56) | MEN1KMT2AALDH1A1PLA2G1BATG4B | |
| SCHEMBL12281756 | 0.72 | TACR3 (0.46) | MEN1KMT2AALDH1A1LMNAMC4R |
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-8293770-B2 | Pyrrolidine derivatives as NK-3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-10-23 | — | — | US | disclosed |
| EP-2331500-A1 | PYRROLIDINE N-BENZYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2011-06-15 | — | — | EP | disclosed |
| US-20100168088-A1 | PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | US | disclosed |
| WO-2010040663-A1 | PYRROLIDINE N-BENZYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-04-15 | — | — | 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-20100168088-A1 | PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS | OPRK1, OPRL1, OPRD1 | TLR2 327/4885TLR1 213/4885CCR5 934/4885 |
“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.