Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.38 |
| ▸ | SCN4A | P35499 | 2/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28339173 | 0.82 | ALDH1A1 (0.53) | DPP4ALDH1A1DRD4SMN1; SMN2PIK3CD | |
| SCHEMBL3151854 | 0.81 | ALDH1A1 (0.39) | ALDH1A1HRH1USP2SMN1; SMN2TDP1 | |
| SCHEMBL4852520 | 0.80 | ALDH1A1 (0.61) | DPP4ALDH1A1SMN1; SMN2PIK3CDPIK3CA | |
| SCHEMBL2828143 | 0.78 | ADRB1 (0.44) | ALDH1A1HRH1USP2SMN1; SMN2TDP1 | |
| SCHEMBL16432510 | 0.78 | HTR1A (0.45) | ALDH1A1HRH1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL4850658 | 0.77 | PIK3CD (0.61) | ALDH1A1USP2SMN1; SMN2PIK3CDPIK3CA | |
| SCHEMBL16432263 | 0.76 | PIK3CD (0.68) | ALDH1A1SMN1; SMN2TDP1PIK3CDPIK3CA | |
| Hydrochloric Acid SCHEMBL2825375 | 0.76 | SCN4A (0.41) | ALDH1A1HRH1SCN4ASCN9AADRB1 | |
| SCHEMBL16432211 | 0.75 | PIK3CD (0.51) | ALDH1A1SMN1; SMN2TDP1PIK3CDPIK3CA | |
| SCHEMBL3765687 | 0.74 | AR (0.70) | ALDH1A1SMN1; SMN2TDP1SCN4ASCN9A |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101137363-B | [4- (heteroaryl) piperazin-1-yl ] - (2, 5-substituted-phenyl) methanone derivatives as glycine transporter 1(GlyT-1) inhibitors for the treatment of neurological and neuropsychiatric disorders | HOFFMANN LA ROCHE | 2010-09-15 | — | — | CN | disclosed |
| EP-1838308-B1 | [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | HOFFMANN LA ROCHE (CH) | 2010-06-30 | — | — | EP | disclosed |
| EP-1765816-B1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | GRUENENTHAL GMBH (DE) | 2010-03-10 | — | — | EP | disclosed |
| US-7368578-B2 | Five-membered heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-06 | — | — | US | disclosed |
| CN-101137363-A | [ 4- (heteroaryl) piperazin-1-yl ] - (2, 5-substituted-phenyl) methanone derivatives as glycine transporter 1 (GlyT-1) inhibitors for the treatment of neurological and neuropsychiatric disorders | HOFFMANN LA ROCHE (CH) | 2008-03-05 | — | — | CN | disclosed |
| US-7300939-B2 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-11-27 | — | — | US | disclosed |
| EP-1838308-A1 | [4-(HETEROARYL)PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | F. Hoffmann-Roche AG (CH) | 2007-10-03 | — | — | EP | disclosed |
| US-7220744-B2 | Monocyclic substituted phenyl methanones | HOFFMAN-LA ROCHE INC. (US) | 2007-05-22 | — | — | US | disclosed |
| US-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRUENENTHAL GMBH (DE) | 2007-05-17 | — | — | US | disclosed |
| EP-1765816-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2007-03-28 | — | — | EP | disclosed |
| US-20060167009-A1 | Monocyclic substituted phenyl methanones | F. HOFFMANN-LA ROCHE AG (CH) | 2006-07-27 | — | — | US | disclosed |
| WO-2006072436-A1 | [4-(HETEROARYL) PIPERAZIN-1-YL]-(2,5-SUBSTITUTED -PHENYL)METHANONE DERIVATIVES AS GLYCINE TRANSPORTER 1 (GLYT-1) INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-07-13 | — | — | WO | disclosed |
| US-20060135578-A1 | Five-membered heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-06-22 | — | — | US | disclosed |
| WO-2006002981-A1 | SUBSTITUTED 1-PROPIOLYLPIPERAZINES HAVING AN AFFINITY FOR THE MGLUR5 RECEPTOR IN ORDER TO TREAT PAINFUL CONDITIONS | Grünenthal GmbH (DE) | 2006-01-12 | — | — | WO | disclosed |
| EP-1541564-A1 | FIVE-MEMBERED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2005-06-15 | — | — | EP | disclosed |
| US-5079249-A | Serotine antagonists at 5-HT2 level, antiallergens, antihistamines | ADIR ET COMPAGNIE (FR) | 1992-01-07 | — | — | US | disclosed |
| US-5071847-A | BIS (ARYL) ALKENE COMPOUNDS OF HOMOPIPERIDINES USEFUL AS SEROTONIN-ANTAGONISTS | ADIR ET COMPAGNIE (FR) | 1991-12-10 | — | — | US | disclosed |
| US-5028607-A | Antiserotonine agents | ADIR ET COMPAGNIE (FR) | 1991-07-02 | — | — | US | disclosed |
| US-4112092-A | CNS DISORDER, PARKINSON'S, CARDIOVASCULAR DISORDER | SCIENCE UNION ET CIE (FR) | 1978-09-05 | — | — | 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 (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-20060135578-A1 | Five-membered heterocyclic compounds | GPR119, OR10J3, CYP11B1 | DPP4 1205/4885ALDH1A1 821/4885DRD4 1383/4885 |
| US-20060167009-A1 | Monocyclic substituted phenyl methanones | SLC1A2, SULT2A1, SLC6A5 | DPP4 1271/4885ALDH1A1 744/4885DRD4 717/4885 |
| US-20070112011-A1 | Substituted 1-propiolylpiperazine compounds, their preparation and use | GRM5, GRIK5, GRM1 | DPP4 2917/4885ALDH1A1 3746/4885DRD4 871/4885 |
“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.