Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.67 |
| ▸ | BRD4 | O60885 | 2/20 | 0.59 |
| ▸ | BRD2 | P25440 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.58 |
| ▸ | DUSP3 | P51452 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | MT-CO2 | P00403 | 3/20 | 0.48 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21932437 | 0.86 | MEN1 (0.58) | PTPN1BRD4BRD2PTGS2PTGS1 | |
| SCHEMBL2567880 | 0.80 | PTPN1 (1.00) | PTPN1DUSP3 | |
| SCHEMBL10432303 | 0.79 | PTPN1 (0.67) | PTPN1BRD4PTGS1DUSP3LMNA | |
| SCHEMBL2565323 | 0.78 | PTPN1 (0.61) | PTPN1BRD4BRD2PTGS2PTGS1 | |
| SCHEMBL25711796 | 0.78 | DUSP3 (0.74) | PTPN1BRD4BRD2PTGS2PTGS1 | |
| SCHEMBL4425127 | 0.78 | MLYCD (0.72) | — | |
| SCHEMBL5439437 | 0.76 | PTGS2 (0.73) | BRD4BRD2PTGS2PTGS1MEN1 | |
| SCHEMBL5428461 | 0.76 | PTGS2 (0.73) | BRD4BRD2PTGS2PTGS1MEN1 | |
| SCHEMBL9069238 | 0.76 | BRD4 (0.66) | BRD4BRD2PTGS2PTGS1MEN1 | |
| SCHEMBL4076415 | 0.75 | PTPN1 (0.67) | PTPN1PTGS1DUSP3MEN1GAA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8748430-B2 | Pyrrolidin-3yl-methylamine quinoxaline derivatives | Hoffmann-La Roche Inc (US) | 2014-06-10 | — | — | US | disclosed |
| US-20120232084-A1 | PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-09-13 | — | — | US | disclosed |
| US-8207220-B2 | Substituted benzothiazoles as orexin antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-06-26 | — | — | US | disclosed |
| EP-2303871-B1 | PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2012-05-09 | — | — | EP | disclosed |
| US-7923470-B2 | Benzooxazoles as orexin antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-04-12 | — | — | US | disclosed |
| US-20110071154-A1 | PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS | KNUST HENNER | 2011-03-24 | — | — | US | disclosed |
| US-20100029664-A1 | PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-02-04 | — | — | 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 (3 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-20110071154-A1 | PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS | HCRTR2, HCRTR1, NPY2R | PTPN1 2524/4885BRD4 897/4885BRD2 995/4885 |
| US-20100029664-A1 | PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS | HCRTR2, HCRTR1, NPY2R | PTPN1 2524/4885BRD4 897/4885BRD2 995/4885 |
| US-20120232084-A1 | PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS | HCRTR2, HCRTR1, NPY2R | PTPN1 2524/4885BRD4 897/4885BRD2 995/4885 |
“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.