SCHEMBL237834

SCHEMBL237834

C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1OCCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.42
HTR2A P28223 7/20 0.42
HTR2B P41595 6/20 0.42
KCNH2 Q12809 1/20 0.38
HTR7 P34969 2/20 0.35
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
KAT2B Q92831 1/20 0.32
BRD1 O95696 1/20 0.32
BRPF1 P55201 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GSK3B P49841 2/20 0.32

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
SCHEMBL6047120 1.00 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR7
SCHEMBL906031 0.95 HTR2C (0.41) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL5585330 0.94 HTR2C (0.41) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL906098 0.94 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR7
SCHEMBL905942 0.91 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL906032 0.90 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL5585666 0.90 HTR2C (0.40) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL237951 0.89 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL2639684 0.89 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL905805 0.89 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US claimed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 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-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-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
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-2004000829-A1 NOVEL PROCESS BIOVITRUM AB (SE) 2003-12-31 WO disclosed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION 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 (7 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 HTR2C 3/4885HTR2A 6/4885HTR2B 20/4885
US-20130158266-A1 (2R)-1-(3-Chloro-2-Pyrazinyl)-2-Methylpiperazine And Salts Thereof HTR2C, HTR5A, HTR2A HTR2C 1/4885HTR2A 3/4885HTR2B 10/4885
US-20040038981-A1 Novel Process HTR1A, TPH1, HTR1B HTR2C 6/4885HTR2A 16/4885HTR2B 14/4885
US-20060142578-A1 Novel process HTR1A, TPH1, HTR5A HTR2C 6/4885HTR2A 14/4885HTR2B 8/4885
US-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A HTR2C 7/4885HTR2A 14/4885HTR2B 13/4885
US-20120010410-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A HTR2C 1/4885HTR2A 3/4885HTR2B 10/4885
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A HTR2C 1/4885HTR2A 3/4885HTR2B 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.