Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 12/20 | 0.56 |
| ▸ | TSHR | P16473 | 6/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL14027000 | 0.90 | ALDH1A1 (0.64) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL6749044 | 0.89 | CYP2D6 (0.57) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL1732446 | 0.87 | CYP2D6 (0.65) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL5243003 | 0.85 | CYP2D6 (0.67) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL24798656 | 0.82 | CYP2D6 (0.68) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL24798927 | 0.82 | CYP2D6 (0.68) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL19320647 | 0.81 | MC4R (0.61) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL4589959 | 0.79 | CYP2D6 (0.83) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 | |
| SCHEMBL15284994 | 0.78 | CYP2D6 (0.56) | CYP2D6TSHRCYP3A4MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27162018 | 0.78 | CYP2D6 (0.81) | SIGMAR1CYP2D6TSHRCYP3A4MEN1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11014920-B2 | Factor XIIa inhibitors | MERCK SHARP & DOHME CORP. (US) | 2021-05-25 | — | — | US | disclosed |
| US-20200262831-A1 | Factor XIIa Inhibitors | MERCK SHARP & DOHME CORP. (US) | 2020-08-20 | — | — | US | disclosed |
| EP-3169666-B1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2018-06-06 | — | — | EP | disclosed |
| US-20170210734-A1 | Substituted Azaspiro(4.5)Decane Derivatives | GRUENENTHAL GMBH (DE) | 2017-07-27 | — | — | US | disclosed |
| EP-3169666-A1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2017-05-24 | — | — | EP | disclosed |
| WO-2016008582-A1 | SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES | Grünenthal GmbH (DE) | 2016-01-21 | — | — | WO | disclosed |
| US-20130231327-A1 | Substituted Spiro-Amide Compounds | GRUENENTHAL GMBH (DE) | 2013-09-05 | — | — | US | disclosed |
| US-20130231327-A1 | Substituted Spiro-Amide Compounds | GRUENENTHAL GMBH (DE) | 2013-09-05 | — | — | US | disclosed |
| US-20130231327-A1 | Substituted Spiro-Amide Compounds | GRUENENTHAL GMBH (DE) | 2013-09-05 | — | — | US | disclosed |
| US-8455475-B2 | Substituted spiro-amide compounds | GRUENENTHAL GMBH (DE) | 2013-06-04 | — | — | US | disclosed |
| US-8455475-B2 | Substituted spiro-amide compounds | GRUENENTHAL GMBH (DE) | 2013-06-04 | — | — | US | disclosed |
| US-8455475-B2 | Substituted spiro-amide compounds | GRUENENTHAL GMBH (DE) | 2013-06-04 | — | — | US | disclosed |
| EP-2411381-A1 | SUBSTITUTED SPIRO-AMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2012-02-01 | — | — | EP | disclosed |
| US-20100249095-A1 | Substituted Spiro-amide Compounds | GRUENENTHAL GMBH (DE) | 2010-09-30 | — | — | US | disclosed |
| US-20100249095-A1 | Substituted Spiro-amide Compounds | GRUENENTHAL GMBH (DE) | 2010-09-30 | — | — | US | disclosed |
| US-20100249095-A1 | Substituted Spiro-amide Compounds | GRUENENTHAL GMBH (DE) | 2010-09-30 | — | — | US | disclosed |
| WO-2010108651-A1 | SUBSTITUTED SPIRO-AMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2010-09-30 | — | — | WO | disclosed |
| WO-2010108651-A1 | SUBSTITUTED SPIRO-AMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2010-09-30 | — | — | 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-20130231327-A1 | Substituted Spiro-Amide Compounds | BDKRB1, BDKRB2, REN | SIGMAR1 572/4885CYP2D6 1926/4885TSHR 338/4885 |
| US-11014920-B2 | Factor XIIa inhibitors | F11, F13B, SERPINC1 | SIGMAR1 4702/4885CYP2D6 1996/4885TSHR 2292/4885 |
| US-20200262831-A1 | Factor XIIa Inhibitors | F11, F13B, SERPINC1 | SIGMAR1 4702/4885CYP2D6 1996/4885TSHR 2292/4885 |
| US-20170210734-A1 | Substituted Azaspiro(4.5)Decane Derivatives | OPRL1, OPRM1, OPRD1 | SIGMAR1 9/4885CYP2D6 653/4885TSHR 1767/4885 |
| US-20100249095-A1 | Substituted Spiro-amide Compounds | BDKRB1, BDKRB2, REN | SIGMAR1 572/4885CYP2D6 1926/4885TSHR 338/4885 |
“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.