SCHEMBL239258

SCHEMBL239258

C[C@@H]1CNCCN1c1nccnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 14/20 0.44
▸ HTR2C P28335 14/20 0.44
▸ HTR2B P41595 13/20 0.44
▸ GSK3B P49841 4/20 0.39
▸ LATS1 O95835 1/20 0.38

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
SCHEMBL6177869 1.00 HTR2A (0.44) HTR2AHTR2CHTR2BGSK3BLATS1
Hydrochloric Acid SCHEMBL5733483 0.98 HTR2A (0.43) HTR2AHTR2CHTR2BGSK3BLATS1
Tert-Butyl Formate SCHEMBL27606399 0.85 GSK3B (0.38) HTR2AHTR2CHTR2BGSK3B
SCHEMBL6200965 0.81 HTR2C (0.41) HTR2AHTR2CHTR2B
SCHEMBL13931360 0.81 HTR2C (0.53) HTR2AHTR2CHTR2B
SCHEMBL4308092 0.77 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL4308089 0.77 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL4308087 0.77 HTR2C (0.45) HTR2AHTR2CHTR2B
SCHEMBL2639565 0.77 HTR2C (0.45) HTR2AHTR2CHTR2B
SCHEMBL6219727 0.75 HTR2A (0.53) HTR2AHTR2CHTR2BGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120010410-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF BIOVITRUM AB, A SWEDEN CORPORATION 2012-01-12 — — US claimed
CN-100334082-C Process for preparing 2-methylpiperazine derivatives BIOVITRUM AB (SE) 2007-08-29 — — CN claimed
CN-100999501-A Process for the preparation of 2-methyl piperazine derivatives BIOVITRUM AB (SE) 2007-07-18 — — CN claimed
US-7129354-B2 Process for the preparation of stable acid addition salt of 2,3-disubstituted pyrazine compounds BIOVITRUM AB (SE) 2006-10-31 — — US claimed
EP-1529043-B1 Process for the preparation of 2-methyl piperazine derivatives. BIOVITRUM AB (SE) 2006-08-02 — — EP claimed
US-20060142578-A1 Novel process BIOVITRUM AB, A SWEDEN CORPORATION 2006-06-29 — — US claimed
CN-1662523-A Novel process BIOVITRUM AB (SE) 2005-08-31 — — CN claimed
US-20040038981-A1 Novel Process PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-26 — — US claimed
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF PROXIMAGEN LIMITED (GB) 2014-11-06 — — US disclosed
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF PROXIMAGEN LIMITED (GB) 2014-11-06 — — US disclosed
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF PROXIMAGEN LIMITED (GB) 2014-11-06 — — US disclosed
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-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
WO-2004000829-A1 NOVEL PROCESS BIOVITRUM AB (SE) 2003-12-31 — — WO 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
CN-1360583-A Novel compounds, their use and preparation BIOWHEAT RHOM AB (SE) 2002-07-24 — — CN 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 (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.

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 HTR2A 3/4885HTR2C 1/4885HTR2B 10/4885
US-20040038981-A1 Novel Process HTR1A, TPH1, HTR1B HTR2A 16/4885HTR2C 6/4885HTR2B 14/4885
US-20060142578-A1 Novel process HTR1A, TPH1, HTR5A HTR2A 14/4885HTR2C 6/4885HTR2B 8/4885
US-20120010410-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A HTR2A 3/4885HTR2C 1/4885HTR2B 10/4885
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A HTR2A 3/4885HTR2C 1/4885HTR2B 10/4885

“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.

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