Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | BCHE | P06276 | 2/20 | 0.47 |
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.41 |
| ▸ | TACR1 | P25103 | 5/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
| ▸ | TACR2 | P21452 | 4/20 | 0.40 |
| ▸ | CCR5 | P51681 | 2/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1937452 | 0.88 | CCR5 (0.53) | ACHEBCHEBACE1HIF1AEPAS1 | |
| SCHEMBL3031891 | 0.87 | HIF1A (0.43) | ACHEBCHEBACE1TACR1RORC | |
| SCHEMBL3019414 | 0.81 | TACR1 (0.39) | TACR1RORCHIF1AEPAS1TACR2 | |
| SCHEMBL3035831 | 0.81 | RORC (0.47) | KCNH2RORCCCR5MCHR1SIGMAR1 | |
| SCHEMBL3035832 | 0.81 | RORC (0.47) | KCNH2RORCCCR5MCHR1SIGMAR1 | |
| SCHEMBL3025795 | 0.81 | RORC (0.49) | KCNH2RORCCCR5MCHR1SIGMAR1 | |
| SCHEMBL3025794 | 0.81 | RORC (0.49) | KCNH2RORCCCR5MCHR1SIGMAR1 | |
| SCHEMBL3032336 | 0.81 | TACR1 (0.40) | TACR1RORCTACR2CCR5SIGMAR1 | |
| SCHEMBL3032339 | 0.81 | TACR1 (0.40) | TACR1RORCTACR2CCR5SIGMAR1 | |
| SCHEMBL3252962 | 0.80 | KCNH2 (0.43) | KCNH2TACR1RORCTACR2CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2364295-B1 | 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2013-02-27 | — | — | EP | disclosed |
| US-8293770-B2 | Pyrrolidine derivatives as NK-3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-10-23 | — | — | US | disclosed |
| US-8022099-B2 | N-benzyl pyrrolidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2011-09-20 | — | — | US | disclosed |
| EP-2364295-A1 | 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-09-14 | — | — | EP | 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-2010060703-A1 | 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-03 | — | — | WO | disclosed |
| US-20100113424-A1 | N-BENZYL PYRROLIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2010-05-06 | — | — | 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 (2 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 | ACHE 907/4885BCHE 3516/4885BACE1 2431/4885 |
| US-20100113424-A1 | N-BENZYL PYRROLIDINE DERIVATIVES | OPRK1, OPRD1, OPRL1 | ACHE 362/4885BCHE 1249/4885BACE1 1032/4885 |
“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.