Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 8/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 4/20 | 0.44 |
| ▸ | HTR3B | O95264 | 4/20 | 0.44 |
| ▸ | HTR3A | P46098 | 4/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 4/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 4/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.44 |
| ▸ | HTR5A | P47898 | 1/20 | 0.44 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.42 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | HTR7 | P34969 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7812495 | 0.91 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL30059716 | 0.88 | ADRB1 (0.45) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL24729859 | 0.88 | ADRB1 (0.45) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8259247 | 0.83 | TGFBR1 (0.50) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL8257181 | 0.81 | TGFBR1 (0.46) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL21397332 | 0.79 | ACACB (0.38) | SIGMAR1NOTUMHTR1AHTTDRD3 | |
| SCHEMBL7503757 | 0.79 | TGFBR1 (0.55) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7812167 | 0.78 | ADRB1 (0.47) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL10407803 | 0.78 | TGFBR1 (0.54) | ADRB1HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL4689650 | 0.77 | ADRB1 (0.53) | ADRB1HTR3EHTR3BHTR3AHTR3D |
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-20110251212-A1 | PIPERAZINE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2011-10-13 | — | — | US | disclosed |
| US-20110251212-A1 | PIPERAZINE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 2011-10-13 | — | — | US | disclosed |
| EP-2184272-A1 | PIPERAZINE DERIVATIVE | Shionogi&Co., Ltd. (JP) | 2010-05-12 | — | — | EP | disclosed |
| US-6486164-B2 | USED FOR TREATMENT OF NEUROPSYCHOLOGICAL DISORDERS INCLUDING SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, SUBSTANCE ABUSE, PARKINSON-LIKE MOTOR DISORDERS AND MOTION DISORDERS NEUROLEPTIC AGENTS. | NEUROGEN CORPORATION | 2002-11-26 | — | — | US | disclosed |
| US-20020099056-A1 | 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkypiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands | NEUROGEN CORPORATION | 2002-07-25 | — | — | US | disclosed |
| US-6333329-B2 | USEFUL FOR TREATMENT AND/OR PREVENTION OF NEUROPSYCHOLOGICAL DISORDERS INCLUDING SCHIZOPHRENIA, MANIA, DEMENTIA, DEPRESSION, ANXIETY, COMPULSIVE BEHAVIOR, DRUG ABUSE, PARKINSON-LIKE MOTOR DISORDERS AND MOTION DISORDERS | NEUROGEN CORPORATION | 2001-12-25 | — | — | US | disclosed |
| US-20010005753-A1 | 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkylpiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands | NEUROGEN CORPORATION | 2001-06-28 | — | — | US | disclosed |
| EP-1091949-A2 | 6-(4-ARYLALKYLPIPERAZIN-1-YL)BENZODIOXANE AND 6-(4-ARYLALKYLPIPERAZIN-1-YL)CHROMANE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2001-04-18 | — | — | EP | disclosed |
| US-6177566-B1 | TREATMENT AND/OR PREVENTION OF NEUROPSYCHOLOGICAL DISORDERS | NEUROGEN CORPORATION | 2001-01-23 | — | — | US | disclosed |
| CN-1056610-C | Piperidines and piperazines | MERCK PATENT GMBH (DE) | 2000-09-20 | — | — | CN | disclosed |
| WO-2000000489-A2 | 6-(4-ARYLALKYLPIPERAZIN-1-YL)BENZODIOXANE AND 6-(4-ARYLALKYLPIPERAZIN-1-YL)CHROMANE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS | NEUROGEN CORPORATION (US) | 2000-01-06 | — | — | WO | disclosed |
| EP-0648767-B1 | Piperdine and piperazine derivatives which affect the C.N.S. | MERCK PATENT GMBH (DE) | 1997-05-28 | — | — | EP | disclosed |
| US-5532241-A | Piperidines and piperazines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-02 | — | — | US | disclosed |
| EP-0648767-A1 | Piperdine and piperazine derivatives which affect the C.N.S. | MERCK PATENT GmbH (DE) | 1995-04-19 | — | — | 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 (3 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-20010005753-A1 | 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkylpiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands | CHRNA6, HTR2C, HTR3C | ADRB1 93/4885HTR3E 67/4885HTR3B 29/4885 |
| US-20110251212-A1 | PIPERAZINE DERIVATIVES | GRIN2C, NR2C2, GRIN3A | ADRB1 348/4885HTR3E 758/4885HTR3B 361/4885 |
| US-20020099056-A1 | 6-(4-arylalkylpiperazin-1-yl) benzodioxane and 6-(4-arylalkypiperazin-1-yl) chromane derivatives: dopamine receptor subtype specific ligands | CHRNA6, HTR3C, HTR2C | ADRB1 94/4885HTR3E 57/4885HTR3B 19/4885 |
“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.