SCHEMBL240797

SCHEMBL240797

C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1nccnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.50
POLB P06746 1/20 0.50
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
ABCB1 P08183 1/20 0.41
USP30 Q70CQ3 1/20 0.40
SETD7 Q8WTS6 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2384347 1.00 GPR119 (0.50) GPR119POLBSMARCA2SMARCA4PBRM1
SCHEMBL4319554 1.00 GPR119 (0.50) GPR119POLBSMARCA2SMARCA4PBRM1
SCHEMBL18448499 0.82 GSK3B (0.43) SMARCA2SMARCA4PBRM1
SCHEMBL3119867 0.82 SLC6A7 (0.43)
SCHEMBL5239428 0.81 GPR119 (0.48) GPR119POLBSMARCA2SMARCA4PBRM1
SCHEMBL15024213 0.80 GPR119 (0.61) GPR119POLBSMARCA2SMARCA4PBRM1
SCHEMBL124268 0.80 POLB (0.60) GPR119POLB
SCHEMBL30592010 0.80 POLB (0.60) GPR119POLB
SCHEMBL23426249 0.79 SMARCA2 (0.45) GPR119POLBSMARCA2SMARCA4PBRM1
SCHEMBL20154088 0.79 SMARCA2 (0.45) GPR119POLBSMARCA2SMARCA4PBRM1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF PROXIMAGEN LIMITED (GB) 2014-11-06 US disclosed
US-8835439-B2 Pharmaceutical composition containing (2R)-methyl-1-3-[2-(3-pyridinyloxy)ethoxy]-2-pyrazinylpiperazine L-malate for treatment of serotonin-related diseases PROXIMAGEN LIMITED (GB) 2014-09-16 US disclosed
US-20130158266-A1 (2R)-1-(3-Chloro-2-Pyrazinyl)-2-Methylpiperazine And Salts Thereof BIOVITRUM AB (PUBL) (SE) 2013-06-20 US disclosed
US-8410113-B2 (2R)-1-(3-chloro-2-pyrazinyl)-2-methylpiperazine and salts thereof BIOVITRUM AB (PUBL) (SE) 2013-04-02 US disclosed
US-20120010410-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF BIOVITRUM AB, A SWEDEN CORPORATION 2012-01-12 US disclosed
US-20120004241-A1 SUCCINATE SALT OF (2R)-METHYL-1-PIPERAZINE BIOVITRUM AB, A SWEDEN CORPORATION 2012-01-05 US disclosed
US-8030316-B2 Malate salt of (2R)-methyl-1-{3-[2-(3-pyridinyloxy)ethoxy]-2-pyrazinyl}piperazine BIOVITRUM AB (PUBL) (SE) 2011-10-04 US disclosed
US-7820677-B2 Phosphoric acid addition salt of (2R)-1-[3-(2-{[2-(2-dimethylaminoethoxy)-3-pyridinyl]oxy}-ethoxy)-2-pyrazinyl]-2-methylpiperazine PROXIMAGEN NEUROSCIENCE PLC (GB) 2010-10-26 US disclosed
US-20100256374-A1 NOVEL PROCESS BIOVITRUM AB, A SWEDEN CORPORATION 2010-10-07 US disclosed
US-7534794-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2009-05-19 US disclosed
US-7071180-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2006-07-04 US disclosed
US-20060142578-A1 Novel process BIOVITRUM AB, A SWEDEN CORPORATION 2006-06-29 US disclosed
EP-1645558-A1 Piperazinylpyrazines as serotonin 5-HT2C receptor modulators BIOVITRUM AB (SE) 2006-04-12 EP disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 EP disclosed
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2004-12-02 US disclosed
US-20040038981-A1 Novel Process PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-26 US disclosed
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM, AB, A STOCKHOLM, SWEDEN CORPORATION 2003-05-15 US disclosed
US-6465467-B1 DISEASES RELATED TO THE 5-HT2C RECEPTOR, ESPECIALLY EATING, MEMORY, MOOD, URINARY AND ANXIETY DISORDERS, SCHIZOPHRENIA, PAIN, SEXUAL DYSFUNCTIONS BIOVITRUM AB (SE) 2002-10-15 US disclosed
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 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 (9 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A GPR119 38/4885POLB 3747/4885SMARCA2 2556/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A GPR119 38/4885POLB 3863/4885SMARCA2 2684/4885
US-20120004241-A1 SUCCINATE SALT OF (2R)-METHYL-1-PIPERAZINE SUCNR1, HTR5A, HTR2C GPR119 877/4885POLB 3064/4885SMARCA2 2502/4885
US-20100256374-A1 NOVEL PROCESS HTR1A, TPH1, HTR5A GPR119 309/4885POLB 4102/4885SMARCA2 4190/4885
US-20130158266-A1 (2R)-1-(3-Chloro-2-Pyrazinyl)-2-Methylpiperazine And Salts Thereof HTR2C, HTR5A, HTR2A GPR119 510/4885POLB 4536/4885SMARCA2 3885/4885
US-20040038981-A1 Novel Process HTR1A, TPH1, HTR1B GPR119 458/4885POLB 3876/4885SMARCA2 4572/4885
US-20060142578-A1 Novel process HTR1A, TPH1, HTR5A GPR119 290/4885POLB 3980/4885SMARCA2 4330/4885
US-20120010410-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A GPR119 510/4885POLB 4536/4885SMARCA2 3885/4885
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A GPR119 510/4885POLB 4536/4885SMARCA2 3885/4885

“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.