Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.50 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL14026998 | 0.87 | TSHR (0.67) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL2524084 | 0.85 | ALDH1A1 (0.62) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| Hydrochloric Acid SCHEMBL4020289 | 0.84 | ALDH1A1 (0.60) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL3959289 | 0.82 | SIGMAR1 (0.52) | SIGMAR1OPRM1 | |
| SCHEMBL1778498 | 0.82 | CYP2D6 (0.58) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL4017996 | 0.79 | TSHR (1.00) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL22904515 | 0.77 | CYP2C19 (0.52) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL3647086 | 0.77 | LTA4H (0.61) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL15236204 | 0.76 | ALDH1A1 (0.77) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 | |
| SCHEMBL4130505 | 0.76 | TSHR (0.82) | TSHRCYP2C19ALDH1A1MEN1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-7544694-B2 | Substituted diaza-spiro-[5.5]-undecane derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-06-09 | — | — | US | disclosed |
| US-7544694-B2 | Substituted diaza-spiro-[5.5]-undecane derivatives and their use as neurokinin antagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2009-06-09 | — | — | US | disclosed |
| EP-1735312-B1 | SUBSTITUTED DIAZA-SPIRO-[5.5 -UNDECANE DERIVATIVES AND THEIR USE AS NEUROKININ ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2008-12-10 | — | — | EP | disclosed |
| US-20070232636-A1 | Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-10-04 | — | — | US | disclosed |
| US-20070232636-A1 | Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-10-04 | — | — | 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 (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-20070232636-A1 | Substituted Diaza-Spiro-[5.5]-Undecane Derivaties and Their Use as Neurokinin Antagonists | NPSR1, PROKR2, KISS1R | TSHR 1891/4885CYP2C19 666/4885ALDH1A1 700/4885 |
“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.