Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 8/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 8/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | EEF2K | O00418 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8116292 | 0.95 | SLC6A3 (0.48) | SLC6A4SLC6A3DRD2HSD11B1SLC6A2 | |
| SCHEMBL29259636 | 0.93 | SLC6A3 (0.52) | SLC6A4SLC6A3DRD2HSD11B1SLC6A2 | |
| SCHEMBL3174097 | 0.90 | DRD2 (0.43) | SLC6A4SLC6A3DRD2HSD11B1SLC6A2 | |
| SCHEMBL27613824 | 0.80 | DRD2 (0.60) | SLC6A4SLC6A3DRD2SLC6A2CYP3A4 | |
| SCHEMBL27598872 | 0.76 | ALDH1A1 (0.52) | TP53CYP3A4OPRK1LMNA | |
| SCHEMBL5925064 | 0.75 | DPP4 (0.41) | SLC6A4SLC6A3SLC6A2MAOAMAOB | |
| SCHEMBL21981594 | 0.74 | WDR91 (0.38) | SLC6A4SLC6A3DRD2SLC6A2HDAC4 | |
| SCHEMBL20203285 | 0.71 | MAOA (0.48) | SLC6A4SLC6A3DRD2HSD11B1SLC6A2 | |
| SCHEMBL16249345 | 0.71 | DRD2 (0.67) | SLC6A4SLC6A3DRD2HSD11B1HDAC4 | |
| SCHEMBL1492744 | 0.71 | SLC6A4 (0.48) | SLC6A4SLC6A3MAOAMAOBKDM1A |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | claimed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | claimed |
| US-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | CHIRON CORPORATION (US) | 2005-11-17 | — | — | US | claimed |
| CN-103237795-A | Substituted oxadiazole compounds and their use as S1P1Use of agonists | BRISTOL MYERS SQUIBB CO | 2013-08-07 | — | — | CN | disclosed |
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | disclosed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | US | disclosed |
| EP-1732919-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2006-12-20 | — | — | EP | disclosed |
| US-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | CHIRON CORPORATION (US) | 2005-11-17 | — | — | US | disclosed |
| WO-2005095386-A1 | SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS | CHIRON CORPORATION (US) | 2005-10-13 | — | — | WO | disclosed |
| CN-1068569-A | DITHIANE | HOFFMANN LA ROCHE (CH) | 1993-02-03 | — | — | CN | disclosed |
| US-4814352-A | ANTIDEPRESSANT CYCLOBUTYL BENZYLAMINE | THE BOOTS COMPANY PLC (GB) | 1989-03-21 | — | — | US | disclosed |
| US-4806570-A | ANTIDEPRESSANTS | THE BOOTS COMPANY PLC (GB) | 1989-02-21 | — | — | US | disclosed |
| US-4767790-A | ANTIDEPRESSANTS | THE BOOTS COMPANY PLC (GB) | 1988-08-30 | — | — | US | disclosed |
| US-4746680-A | ANTIDEPRESSANTS | THE BOOTS COMPANY P.L.C. (GB) | 1988-05-24 | — | — | US | disclosed |
| US-4522828-A | CYCLOBUTYLALKYLAMINE COMPOUNDS, ANTIDEPRESSANTS | THE BOOTS COMPANY PLC (GB) | 1985-06-11 | — | — | US | disclosed |
| US-4443449-A | Arylcyclobutylalkylamines and anti-depression composition and methods using same | THE BOOTS COMPANY LIMITED (GB) | 1984-04-17 | — | — | 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 (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-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | MALT1, AKT1, PIK3CA | SLC6A4 2898/4885SLC6A3 3245/4885DRD2 3993/4885 |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | CYP3A5, ABCG2, ABCB1 | SLC6A4 166/4885SLC6A3 286/4885DRD2 1937/4885 |
“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.