Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | ESR1 | P03372 | 1/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA6 | P23280 | 1/20 | 0.54 |
| ▸ | CA5A | P35218 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL40656 | 0.96 | CA2 (0.77) | CA2TDP1ESR1ESR2KDM4E | |
| SCHEMBL17996039 | 0.88 | TDP1 (0.89) | CA2TDP1ALDH1A1CA1CA12 | |
| SCHEMBL7719756 | 0.87 | CA2 (0.65) | CA2TDP1ESR1ESR2KDM4E | |
| SCHEMBL40703 | 0.87 | CA2 (0.65) | CA2TDP1ESR1ESR2KDM4E | |
| SCHEMBL2044945 | 0.87 | CA2 (0.65) | CA2TDP1ESR1ESR2KDM4E | |
| SCHEMBL242247 | 0.84 | CA2 (0.62) | CA2TDP1ESR1ESR2KDM4E | |
| Tyrosol SCHEMBL43838 | 0.84 | CA2 (1.00) | CA2TDP1ESR1ESR2KDM4E | |
| SCHEMBL22862360 | 0.84 | CA2 (0.54) | CA2TDP1ESR1ESR2KDM4E | |
| SCHEMBL1109793 | 0.82 | CA2 (0.59) | CA2TDP1ESR1ESR2KDM4E | |
| SCHEMBL2644238 | 0.82 | CA2 (0.59) | CA2TDP1ESR1ESR2KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1311499-B1 | BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS | ORTHO MCNEIL PHARM INC (US) | 2006-04-12 | — | — | EP | disclosed |
| US-6638967-B2 | Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine | ORTHO-MCNEIL PHAMRACEUTICAL, INC. | 2003-10-28 | — | — | US | disclosed |
| EP-1311499-A2 | BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2003-05-21 | — | — | EP | disclosed |
| US-20020037896-A1 | Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine | ORTHO MCNEIL PHARMACEUTICAL, INC. | 2002-03-28 | — | — | US | disclosed |
| WO-2002012224-A2 | BICYCLIC COMPOUNDS AS H3 RECEPTOR LIGANDS | ORTHO MCNEIL PHARMACEUTICAL, INC. (US) | 2002-02-14 | — | — | 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-20020037896-A1 | Pyrrole, furan, thiofuran and phenyl derivatives; inhibition of histamine H3 receptor activity; for example, 1-((4-(4-Pyrrolidin-1-ylmethyl-phenyl)-thien-2-yl)methyl)-pyrrolidine | HRH4, HRH3, HRH2 | CA2 1305/4885TDP1 2268/4885ESR1 2280/4885 |
“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.