Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PRCP | P42785 | 2/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4125387 | 1.00 | SIGMAR1 (0.41) | SIGMAR1TSHRMAOAMAOBPRCP | |
| SCHEMBL4130743 | 0.98 | MAOA (0.41) | SIGMAR1TSHRMAOAMAOBPRCP | |
| SCHEMBL296400 | 0.86 | MAOA (0.43) | MAOAMAOBOPRM1OPRD1OPRL1 | |
| SCHEMBL4118768 | 0.85 | TSHR (0.38) | SIGMAR1TSHRMAOAMAOBOPRL1 | |
| SCHEMBL2989327 | 0.82 | TSHR (0.48) | TSHR | |
| SCHEMBL5243972 | 0.82 | TSHR (0.48) | TSHR | |
| SCHEMBL4873013 | 0.80 | SMN1; SMN2 (0.47) | TSHR | |
| SCHEMBL4282683 | 0.80 | MAOA (0.36) | SIGMAR1TSHRMAOAMAOB | |
| Bromide SCHEMBL10842432 | 0.79 | MAOA (0.44) | SIGMAR1TSHRMAOAMAOBPRCP | |
| SCHEMBL4124967 | 0.77 | CXCR4 (0.39) | SIGMAR1 |
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 10 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 |
| 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 |
| US-7786328-B2 | Cyclohexyl-1,4-diamine compounds | GRUENENTHAL GMBH (DE) | 2010-08-31 | — | — | US | disclosed |
| US-20090253669-A1 | Substituted Sulfonamide Compounds | GRUENENTHAL GMBH (DE) | 2009-10-08 | — | — | US | disclosed |
| US-20090253669-A1 | Substituted Sulfonamide Compounds | GRUENENTHAL GMBH (DE) | 2009-10-08 | — | — | US | disclosed |
| US-20090253669-A1 | Substituted Sulfonamide Compounds | GRUENENTHAL GMBH (DE) | 2009-10-08 | — | — | 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 |
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-20070129369-A1 | Heteroaryl substituted cyclohexyl-1,4-diamine compounds | DDC, DPYD, PKD1 | SIGMAR1 2685/4885TSHR 4395/4885MAOA 92/4885 |
| US-20090253669-A1 | Substituted Sulfonamide Compounds | SULT2A1, STS, SULT1A1 | SIGMAR1 1349/4885TSHR 3282/4885MAOA 2582/4885 |
| US-20070281954-A1 | Cyclohexyl-1,4-diamine compounds | DPYD, PKD1, AOC1 | SIGMAR1 1253/4885TSHR 3832/4885MAOA 68/4885 |
“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.