Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5243972 | 1.00 | TSHR (0.48) | TSHRSMN1; SMN2CYP2C19GAAALDH1A1 | |
| SCHEMBL4873013 | 0.99 | SMN1; SMN2 (0.47) | TSHRSMN1; SMN2CYP2C19GAAALDH1A1 | |
| SCHEMBL2989331 | 0.82 | SIGMAR1 (0.41) | TSHR | |
| SCHEMBL4125387 | 0.82 | SIGMAR1 (0.41) | TSHR | |
| SCHEMBL5158745 | 0.82 | TSHR (0.44) | TSHRSMN1; SMN2CYP2C19ALDH1A1RAB9A | |
| SCHEMBL4130743 | 0.80 | MAOA (0.41) | TSHRALDH1A1 | |
| SCHEMBL4049562 | 0.77 | SIGMAR1 (0.59) | ALDH1A1TP53KDM4ENPSR1MEN1 | |
| SCHEMBL4282683 | 0.75 | MAOA (0.36) | TSHRGAAALDH1A1MEN1KMT2A | |
| SCHEMBL2987472 | 0.74 | NPSR1 (0.48) | TSHRALDH1A1LTA4HRAB9ANPSR1 | |
| SCHEMBL2987752 | 0.73 | CNR2 (0.42) | SMN1; SMN2ALDH1A1KDM4EPKMMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1745009-B1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2012-11-14 | — | — | EP | claimed |
| US-7786328-B2 | Cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2010-08-31 | — | — | US | claimed |
| JP-2007536321-A | — | — | 2007-12-13 | — | — | JP | claimed |
| JP-2007536322-A | — | — | 2007-12-13 | — | — | JP | claimed |
| US-20070281954-A1 | Cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-12-06 | — | — | US | claimed |
| US-20070129369-A1 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-06-07 | — | — | US | claimed |
| EP-1747191-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION | Grünenthal GmbH (DE) | 2007-01-31 | — | — | EP | claimed |
| EP-1745009-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-01-24 | — | — | EP | claimed |
| WO-2005110975-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | claimed |
| WO-2005110971-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | claimed |
| EP-1745009-B1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2012-11-14 | — | — | EP | disclosed |
| US-7786328-B2 | Cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2010-08-31 | — | — | US | disclosed |
| US-20070281954-A1 | Cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-12-06 | — | — | US | disclosed |
| US-20070129369-A1 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-06-07 | — | — | US | disclosed |
| EP-1747191-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION | Grünenthal GmbH (DE) | 2007-01-31 | — | — | EP | disclosed |
| EP-1745009-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2007-01-24 | — | — | EP | disclosed |
| WO-2005110971-A1 | HETEROARYL SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2005-11-24 | — | — | WO | disclosed |
| WO-2005110975-A1 | SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES WITH A CHAIN EXTENSION | Grünenthal GmbH (DE) | 2005-11-24 | — | — | 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 (2 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-20070129369-A1 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | DDC, DPYD, PKD1 | TSHR 4395/4885SMN1; SMN2 1685/4885CYP2C19 33/4885 |
| US-20070281954-A1 | Cyclohexyl-1,4-diamine compounds | DPYD, PKD1, AOC1 | TSHR 3832/4885SMN1; SMN2 895/4885CYP2C19 8/4885 |
“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.