Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11285850 | 0.77 | TSHR (0.50) | TSHRCYP3A4TP53HSD17B10TDP1 | |
| SCHEMBL21352050 | 0.76 | NISCH (0.33) | ALDH1A1CYP1A2CYP2A6 | |
| SCHEMBL362696 | 0.76 | CYP3A4 (0.41) | TSHRCYP3A4TP53ALDH1A1SMN1; SMN2 | |
| SCHEMBL3726399 | 0.75 | TSHR (0.48) | TSHRCYP3A4TP53HSD17B10TDP1 | |
| Water SCHEMBL3726511 | 0.73 | TSHR (0.46) | TSHRCYP3A4TP53HSD17B10TDP1 | |
| SCHEMBL7110303 | 0.72 | CA12 (0.39) | TSHRCYP3A4HSD17B10ALDH1A1AHR | |
| SCHEMBL15140350 | 0.72 | TRPV4 (0.46) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL30571306 | 0.72 | TRPV4 (0.46) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL14808687 | 0.71 | CYP3A4 (0.46) | TSHRCYP3A4TP53IDO1ALDH1A1 | |
| SCHEMBL1005644 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100210617-A1 | Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors | ASTEX THERAPEUTICS LIMITED (GB) | 2010-08-19 | — | — | US | disclosed |
| EP-1571140-B1 | C-substituted cyclohexylmethylamine derivatives | GRUENENTHAL GMBH (DE) | 2008-11-12 | — | — | EP | disclosed |
| EP-1904451-A1 | ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS | Astex Therapeutics Limited (GB) | 2008-04-02 | — | — | EP | disclosed |
| US-7273952-B2 | Substituted C-cyclohexylmethylamine derivatives | GRUENENTHAL GMBH (DE) | 2007-09-25 | — | — | US | disclosed |
| WO-2006136830-A1 | ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |
| EP-1368299-B1 | SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2006-07-26 | — | — | EP | disclosed |
| EP-1571140-A1 | C-substituted cyclohexylmethylamine derivatives | Grünenthal GmbH (DE) | 2005-09-07 | — | — | EP | disclosed |
| US-20030232891-A1 | Substituted C-cyclohexylmethylamine derivatives | GRUENENTHAL GMBH (DE) | 2003-12-18 | — | — | US | disclosed |
| EP-1368299-A2 | SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002030870-A2 | SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES | Grünenthal GmbH (DE) | 2002-04-18 | — | — | 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-20030232891-A1 | Substituted C-cyclohexylmethylamine derivatives | CNR2, CNR1, HNMT | TSHR 3507/4885CYP3A4 241/4885TP53 4432/4885 |
| US-20100210617-A1 | Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors | ERBB2, ABL1, GRK2 | TSHR 406/4885CYP3A4 2465/4885TP53 1923/4885 |
“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.