SCHEMBL238407

SCHEMBL238407

CN(C)CCOc1ncccc1OCCO

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.53
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC6A2 P23975 1/20 0.46
HTR1B P28222 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
KAT2B Q92831 1/20 0.42

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
SCHEMBL5585616 0.93 KDM4E (0.47) HTR7ALDH1A1KDM4ESMN1; SMN2SLC6A2
SCHEMBL5586046 0.91 KDM4E (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2SLC6A2
SCHEMBL5585671 0.86 SLC6A2 (0.46) HTR7ALDH1A1KDM4ESMN1; SMN2SLC6A2
SCHEMBL5585853 0.84 CHRNB2 (0.49) HTR7SLC6A2CHRNB2CHRNA4
SCHEMBL5585586 0.82 HTR7 (0.69) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL236730 0.81 SLC6A2 (0.47) ALDH1A1KDM4ESMN1; SMN2SLC6A2
SCHEMBL5585628 0.79 LTA4H (0.51) HTR7HTR1BCHRNB2CHRNA4DRD2
SCHEMBL5585335 0.79 SLC6A2 (0.42) HTR7ALDH1A1KDM4ESMN1; SMN2SLC6A2
SCHEMBL4318642 0.79 CHRNB4 (0.48) ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL5585621 0.79 SLC6A2 (0.62) ALDH1A1KDM4ESLC6A2HTR1BCHRNB2

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 21 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
EP-1645558-B1 Piperazinylpyrazines as serotonin 5-HT2C receptor modulators BIOVITRUM AB PUBL (SE) 2008-06-11 EP disclosed
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 disclosed
EP-1529043-B1 Process for the preparation of 2-methyl piperazine derivatives. BIOVITRUM AB (SE) 2006-08-02 EP 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-1529043-A1 NOVEL PROCESS Biovitrum AB (SE) 2005-05-11 EP disclosed
EP-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040038981-A1 Novel Process PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-26 US disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US disclosed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 WO disclosed
WO-2004000829-A1 NOVEL PROCESS BIOVITRUM AB (SE) 2003-12-31 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 (8 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-20120004241-A1 SUCCINATE SALT OF (2R)-METHYL-1-PIPERAZINE SUCNR1, HTR5A, HTR2C HTR7 37/4885ALDH1A1 160/4885KDM4E 2291/4885
US-20100256374-A1 NOVEL PROCESS HTR1A, TPH1, HTR5A HTR7 21/4885ALDH1A1 458/4885KDM4E 4012/4885
US-20130158266-A1 (2R)-1-(3-Chloro-2-Pyrazinyl)-2-Methylpiperazine And Salts Thereof HTR2C, HTR5A, HTR2A HTR7 15/4885ALDH1A1 286/4885KDM4E 3179/4885
US-20040038981-A1 Novel Process HTR1A, TPH1, HTR1B HTR7 18/4885ALDH1A1 193/4885KDM4E 3310/4885
US-20060142578-A1 Novel process HTR1A, TPH1, HTR5A HTR7 18/4885ALDH1A1 471/4885KDM4E 4340/4885
US-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A HTR7 15/4885ALDH1A1 445/4885KDM4E 3125/4885
US-20120010410-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A HTR7 15/4885ALDH1A1 286/4885KDM4E 3179/4885
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A HTR7 15/4885ALDH1A1 286/4885KDM4E 3179/4885

“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.