Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1B | P49286 | 2/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.49 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 2/20 | 0.48 |
| ▸ | CFTR | P13569 | 1/20 | 0.47 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17009558 | 0.88 | CYP1A2 (0.54) | MTNR1BCYP1A2CHRM2SLC6A4OPRD1 | |
| SCHEMBL19493572 | 0.85 | MTNR1B (0.64) | MTNR1BKDM4ELMNATSHR | |
| SCHEMBL7300721 | 0.84 | CYP1A2 (0.62) | CYP1A2CHRM2SLC6A4OPRD1OPRK1 | |
| SCHEMBL5476715 | 0.82 | HTR6 (0.53) | CYP1A2CHRM2SLC6A4OPRD1OPRK1 | |
| SCHEMBL24673156 | 0.81 | GAA (0.56) | CYP1A2CHRM2SLC6A4OPRD1OPRK1 | |
| SCHEMBL392360 | 0.81 | CYP1A2 (0.62) | CYP1A2CHRM2SLC6A4OPRD1OPRK1 | |
| SCHEMBL17696097 | 0.81 | HTR3E (0.57) | CYP1A2CHRM2SLC6A4OPRD1OPRK1 | |
| SCHEMBL2922854 | 0.80 | KDM4E (0.51) | CYP1A2CHRM2SLC6A4OPRD1OPRK1 | |
| SCHEMBL15566396 | 0.78 | SOS1 (0.49) | CYP1A2CHRM2SOS1KDM4ELMNA | |
| SCHEMBL17533456 | 0.75 | HTR1A (0.62) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8088763-B2 | e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases | GRUENENTHAL GMBH (DE) | 2012-01-03 | — | — | US | disclosed |
| US-8088763-B2 | e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases | GRUENENTHAL GMBH (DE) | 2012-01-03 | — | — | US | disclosed |
| US-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | disclosed |
| US-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | disclosed |
| CN-1107060-C | Piperazingl cyclohexanols and compositions containing same and use thereof | BRISTOL MYERS SQUIBB CO (US) | 2003-04-30 | — | — | CN | disclosed |
| CN-1047594-C | Piperazinyl or piperidinyl cyclohexanols, their preparation and their use | BRISTOL MYERS SQUIBB CO (US) | 1999-12-22 | — | — | CN | disclosed |
| CN-1229796-A | Piperazingl cyclohexanols and compositions containing same and use thereof | BRISTOL MYERS SQUIBB CO (US) | 1999-09-29 | — | — | CN | disclosed |
| EP-0546583-B1 | Piperazinyl-and piperidinyl-cyclohexanols | BRISTOL MYERS SQUIBB CO (US) | 1996-05-22 | — | — | EP | disclosed |
| US-5478828-A | Anxiolytic agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-12-26 | — | — | US | disclosed |
| US-5387593-A | Anxiolytic agents | BRISTON-MYERS SQUIBB (US) | 1995-02-07 | — | — | US | disclosed |
| CN-1088923-A | Piperazinyl or piperamylcyclohexanol, preparation and use thereof | BRISTOL MYERS SQUIBB CO (US) | 1994-07-06 | — | — | CN | disclosed |
| EP-0546583-A1 | Piperazinyl-and piperidinyl-cyclohexanols | Bristol-Myers Squibb Company (US) | 1993-06-16 | — | — | EP | 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-20070112007-A1 | Cyclohexyl-1, 4-diamine compounds | PKD1, DDC, DPYD | MTNR1B 2252/4885CYP1A2 332/4885CHRM2 3382/4885 |
“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.