Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.55 |
| ▸ | HTR1A | P08908 | 1/20 | 0.55 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.55 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.55 |
| ▸ | HTR1D | P28221 | 1/20 | 0.55 |
| ▸ | HTR1B | P28222 | 1/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | HTR1E | P28566 | 1/20 | 0.55 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.55 |
| ▸ | HTR7 | P34969 | 1/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
| ▸ | HTR6 | P50406 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3799963 | 1.00 | HTR2A (0.55) | HTR2AADRB1HTR1AADRA2ASLC6A2 | |
| Bromide SCHEMBL6441067 | 0.83 | HTR2A (0.50) | HTR2AADRB1HTR1AADRA2ASLC6A2 | |
| SCHEMBL27469772 | 0.83 | SSTR1 (0.54) | HTR2AADRB1HTR1AADRA2ASLC6A2 | |
| SCHEMBL27469773 | 0.83 | SSTR1 (0.54) | HTR2AADRB1HTR1AADRA2ASLC6A2 | |
| Hydrochloric Acid SCHEMBL6715553 | 0.82 | SSTR1 (0.53) | HTR2AADRB1HTR1AADRA2ASLC6A2 | |
| Hydrochloric Acid SCHEMBL27548729 | 0.82 | SSTR1 (0.53) | HTR2AADRB1HTR1AADRA2ASLC6A2 | |
| SCHEMBL27805052 | 0.79 | POLB (0.59) | CYP1A2CYP2D6CYP2C19CYP3A4POLB | |
| SCHEMBL3792073 | 0.75 | POLB (0.49) | HTR2ACYP1A2CYP2D6CYP2C19CYP3A4 | |
| SCHEMBL3787418 | 0.75 | POLB (0.49) | HTR2ACYP1A2CYP2D6CYP2C19CYP3A4 | |
| Hydrochloric Acid SCHEMBL6715708 | 0.73 | KDM4E (0.64) | HTR2AADRB1HTR1AADRA2ASLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | HTR2A 57/4885ADRB1 27/4885HTR1A 17/4885 |
“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.