Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | HTR2A | P28223 | 2/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | HTR1D | P28221 | 1/20 | 0.51 |
| ▸ | HTR1B | P28222 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | HTR1E | P28566 | 1/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3783713 | 1.00 | KDM4E (0.57) | KDM4EALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL3783712 | 1.00 | KDM4E (0.57) | KDM4EALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL4109454 | 0.81 | MTNR1B (0.48) | KDM4EALDH1A1TSHRCYP2C19NPSR1 | |
| SCHEMBL3784918 | 0.79 | SMN1; SMN2 (0.48) | KDM4EALDH1A1TSHRNPSR1MAPT | |
| Hydrochloric Acid SCHEMBL27470772 | 0.76 | KDM4E (0.64) | KDM4EALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL20511654 | 0.76 | KDM4E (0.71) | KDM4EALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL30493003 | 0.76 | KDM4E (0.71) | KDM4EALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL20511658 | 0.76 | KDM4E (0.71) | KDM4EALDH1A1TSHRCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL6715708 | 0.76 | KDM4E (0.64) | KDM4EALDH1A1TSHRCYP1A2CYP2D6 | |
| SCHEMBL3803107 | 0.75 | KDM4E (0.60) | KDM4EALDH1A1TSHRCYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2260022-B1 | SUBSTITUTED CYCLOHEXYLDIAMINES | GRUENENTHAL GMBH (DE) | 2017-01-04 | — | — | EP | disclosed |
| US-8357705-B2 | Substituted cyclohexyldiamines | GRUENENTHAL GMBH (DE) | 2013-01-22 | — | — | US | disclosed |
| EP-2260022-A1 | SUBSTITUTED CYCLOHEXYLDIAMINES | Grünenthal GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009118174-A1 | SUBSTITUTED CYCLOHEXYLDIAMINES | Grünenthal GmbH (DE) | 2009-10-01 | — | — | WO | disclosed |
| US-20090247591-A1 | SUBSTITUTED CYCLOHEXYLDIAMINES | GRUNENTHAL GMBH (DE) | 2009-10-01 | — | — | 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-20090247591-A1 | SUBSTITUTED CYCLOHEXYLDIAMINES | OPRL1, OPRD1, OPRK1 | KDM4E 2411/4885ALDH1A1 466/4885TSHR 1327/4885 |
“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.