Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 5/20 | 0.59 |
| ▸ | ACHE | P22303 | 3/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.59 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.59 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | FNTA | P49354 | 1/20 | 0.42 |
| ▸ | FNTB | P49356 | 1/20 | 0.42 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11947490 | 1.00 | SLC6A4 (0.59) | SLC6A4ACHECYP2D6SLC22A1CHRM2 | |
| SCHEMBL20698854 | 0.84 | SLC6A4 (0.44) | SLC6A4ACHECYP2D6SLC22A1CHRM2 | |
| SCHEMBL19123555 | 0.82 | SLC6A4 (0.50) | SLC6A4CYP2D6CHRM2OPRM1SLC6A2 | |
| SCHEMBL17119222 | 0.81 | FNTA (0.49) | SLC6A4CYP2D6SLC22A1CHRM2OPRM1 | |
| SCHEMBL7680548 | 0.81 | FNTA (0.49) | SLC6A4CYP2D6SLC22A1CHRM2OPRM1 | |
| SCHEMBL23333048 | 0.81 | ACHE (0.55) | SLC6A4ACHECYP2D6SLC22A1CHRM2 | |
| SCHEMBL13078444 | 0.80 | FNTA (0.49) | SLC6A4ACHECYP2D6SLC22A1CHRM2 | |
| SCHEMBL11226331 | 0.77 | SLC6A4 (0.49) | SLC6A4CYP2D6OPRM1SLC6A2SLC6A3 | |
| SCHEMBL13485648 | 0.75 | OPRM1 (0.41) | SLC6A4ACHECYP2D6SLC22A1CHRM2 | |
| SCHEMBL19146081 | 0.74 | ACHE (0.76) | SLC6A4ACHECYP2D6SLC22A1CHRM2 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190031615-A1 | 3-ETHYL-3-PHENYLAZEPANE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-01-31 | — | — | US | disclosed |
| EP-3402779-A1 | 3-ETHYL-3-PHENYLAZEPANE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2018-11-21 | — | — | EP | disclosed |
| WO-2017121645-A1 | 3-ETHYL-3-PHENYLAZEPANE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-07-20 | — | — | WO | disclosed |
| US-20120270847-A1 | NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF | SHIRE LLC (US) | 2012-10-25 | — | — | US | disclosed |
| WO-2011007247-A1 | NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE LLC (US) | 2011-01-20 | — | — | WO | disclosed |
| US-20110015182-A1 | NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE LLC | 2011-01-20 | — | — | US | disclosed |
| US-20110015182-A1 | NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE LLC | 2011-01-20 | — | — | US | disclosed |
| US-20100286186-A1 | NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE LLC (US) | 2010-11-11 | — | — | US | disclosed |
| WO-2010112942-A1 | NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | SHIRE LLC (US) | 2010-10-07 | — | — | WO | disclosed |
| US-20020037888-A1 | 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease | MERCK & CO., INC. | 2002-03-28 | — | — | US | disclosed |
| US-6316436-B1 | ANTICANCER AGENTS | MERCK & CO., INC. | 2001-11-13 | — | — | US | disclosed |
| US-6284755-B1 | Inhibitors of prenyl-protein transferase | MERCK & CO., INC. | 2001-09-04 | — | — | US | disclosed |
| WO-2000034239-A2 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-06-15 | — | — | WO | disclosed |
| WO-2000034437-A2 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-06-15 | — | — | 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 (5 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-20100286186-A1 | NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | VIP, OPRL1, OPRK1 | SLC6A4 485/4885ACHE 492/4885CYP2D6 95/4885 |
| US-20190031615-A1 | 3-ETHYL-3-PHENYLAZEPANE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | OPRK1, OPRD1, OPRM1 | SLC6A4 570/4885ACHE 145/4885CYP2D6 980/4885 |
| US-20110015182-A1 | NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF | OPRL1, OPRM1, DNPEP | SLC6A4 298/4885ACHE 72/4885CYP2D6 158/4885 |
| US-20120270847-A1 | NOVEL CARBAMATE AMINO ACID AND PEPTIDE PRODRUGS OF OPIATES AND USES THEREOF | OPRL1, OPRM1, DNPEP | SLC6A4 312/4885ACHE 71/4885CYP2D6 234/4885 |
| US-20020037888-A1 | 4-imidazol-1-ylmethyl-2-(2-(2-oxo-piperidin-1-yl)-phenoxy) -benzonitrile for example; farnesyl-protein transferase inhibitors; treating cancer, benign proliferative disorder, hepatitis virus, restenosis, and polycystic kidney disease | FNTA, PKD1, FNTB | SLC6A4 4401/4885ACHE 4845/4885CYP2D6 3516/4885 |
“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.