Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 5/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | TPMT | P51580 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GRN | P28799 | 4/20 | 0.34 |
| ▸ | SORT1 | Q99523 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL1874074 | 0.83 | CNR2 (0.40) | CNR2AKR1C3AKR1C2GAAMEN1 | |
| SCHEMBL1873646 | 0.82 | AKR1C3 (0.56) | CNR2AKR1C3AKR1C2TPMTGAA | |
| SCHEMBL9175649 | 0.80 | MAPT (0.52) | CNR2AKR1C3AKR1C2TPMTGAA | |
| SCHEMBL1203861 | 0.79 | SCN5A (0.43) | TSHRMEN1KMT2ALMNAMAPT | |
| SCHEMBL1873372 | 0.77 | CNR2 (0.40) | CNR2TPMTCNR1POLBRXRA | |
| SCHEMBL3443562 | 0.77 | MEN1 (0.54) | TSHRMEN1KMT2APOLBLMNA | |
| SCHEMBL1869889 | 0.77 | CNR2 (0.51) | CNR2AKR1C3AKR1C2TPMTGAA | |
| SCHEMBL13271102 | 0.77 | CNR2 (0.40) | CNR2AKR1C3AKR1C2TPMTGAA | |
| SCHEMBL1878363 | 0.76 | CES2 (0.39) | AKR1C3AKR1C2MEN1KMT2APOLB | |
| SCHEMBL1202442 | 0.76 | CES2 (0.50) | GAARXRARXRBLMNAMAPT |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2560974-B1 | PYRRAZOLOPYRIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2016-01-27 | — | — | EP | disclosed |
| CN-102858775-B | pyrazolopyridine derivatives | HOFFMANN LA ROCHE | 2015-04-01 | — | — | CN | disclosed |
| US-8487102-B2 | Pyrrazolopyridine compounds as dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-07-16 | — | — | US | disclosed |
| US-8404708-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| EP-2560974-A1 | PYRRAZOLOPYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011131571-A1 | PYRRAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-27 | — | — | WO | disclosed |
| US-20110257402-A1 | PYRRAZOLOPYRIDINE COMPOUNDS AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | US | disclosed |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2011-07-21 | — | — | US | disclosed |
| US-7939533-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-05-10 | — | — | US | disclosed |
| US-7893062-B2 | Pyrrolidine derivatives as dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-02-22 | — | — | US | disclosed |
| EP-2148857-B1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTORS ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-07-28 | — | — | EP | disclosed |
| EP-2148857-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-02-03 | — | — | EP | disclosed |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2009-05-28 | — | — | US | disclosed |
| US-20080275021-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2008-11-06 | — | — | US | disclosed |
| WO-2008128891-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-10-30 | — | — | WO | disclosed |
| EP-1643998-B1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | HOFFMANN LA ROCHE (CH) | 2007-08-29 | — | — | EP | disclosed |
| EP-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| US-20050090533-A1 | Dual NK1/NK3 receptor antagonists | F. HOFMANN-LA ROCHE AG (CH) | 2005-04-28 | — | — | US | disclosed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | 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 (5 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-20080275021-A1 | PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TAC3, TACR2, TACR1 | CNR2 262/4885AKR1C3 365/4885AKR1C2 661/4885 |
| US-20050090533-A1 | Dual NK1/NK3 receptor antagonists | TACR2, TAC3, TACR1 | CNR2 142/4885AKR1C3 254/4885AKR1C2 411/4885 |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | CNR2 142/4885AKR1C3 254/4885AKR1C2 411/4885 |
| US-20110257402-A1 | PYRRAZOLOPYRIDINE COMPOUNDS AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, GRIN3A, TACR1 | CNR2 193/4885AKR1C3 171/4885AKR1C2 318/4885 |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | CNR2 142/4885AKR1C3 254/4885AKR1C2 411/4885 |
“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.