SCHEMBL238858

SCHEMBL238858

CC(C)(C)[Si](C)(C)OCCOc1cccnc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.50
LMNA P02545 7/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 6/20 0.38
MAPT P10636 6/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
DUT P33316 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL1927440 0.81 HTR7 (0.50) LMNASMN1; SMN2KDM4EMAPTCYP1A2
SCHEMBL27094490 0.81 S1PR4 (0.36) S1PR4POLBMEN1KMT2A
SCHEMBL27094486 0.81 S1PR4 (0.36) S1PR4POLBMEN1KMT2A
SCHEMBL12134891 0.79 LMNA (0.36) LMNASMN1; SMN2KDM4EMAPTCYP1A2
SCHEMBL30542289 0.78 PLCG1 (0.40) S1PR4LMNASMN1; SMN2KDM4EMAPT
SCHEMBL13139763 0.78 S1PR4 (0.55) S1PR4LMNASMN1; SMN2KDM4EMAPT
SCHEMBL13552009 0.78 LMNA (0.39) LMNASMN1; SMN2KDM4EMAPTCYP1A2
SCHEMBL14092152 0.77 MCHR1 (0.36) S1PR4POLBMEN1KMT2A
SCHEMBL31362449 0.77 S1PR4 (0.58) S1PR4LMNASMN1; SMN2KDM4EMAPT
SCHEMBL1725556 0.77 S1PR4 (0.38) S1PR4DUTCA12CA1CA2

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 25 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
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
EP-1529043-A1 NOVEL PROCESS Biovitrum AB (SE) 2005-05-11 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
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
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 (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-20030092694-A1 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases HTR2C, HTR3C, HTR2A S1PR4 849/4885LMNA 2553/4885SMN1; SMN2 988/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A S1PR4 919/4885LMNA 2654/4885SMN1; SMN2 997/4885
US-20120004241-A1 SUCCINATE SALT OF (2R)-METHYL-1-PIPERAZINE SUCNR1, HTR5A, HTR2C S1PR4 746/4885LMNA 4213/4885SMN1; SMN2 767/4885
US-20100256374-A1 NOVEL PROCESS HTR1A, TPH1, HTR5A S1PR4 626/4885LMNA 3746/4885SMN1; SMN2 1537/4885
US-20130158266-A1 (2R)-1-(3-Chloro-2-Pyrazinyl)-2-Methylpiperazine And Salts Thereof HTR2C, HTR5A, HTR2A S1PR4 756/4885LMNA 4207/4885SMN1; SMN2 1536/4885
US-20040038981-A1 Novel Process HTR1A, TPH1, HTR1B S1PR4 506/4885LMNA 4181/4885SMN1; SMN2 1631/4885
US-20120010410-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A S1PR4 756/4885LMNA 4207/4885SMN1; SMN2 1536/4885
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A S1PR4 756/4885LMNA 4207/4885SMN1; SMN2 1536/4885

“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.