SCHEMBL240796

SCHEMBL240796

CC(C)(C)OC(=O)CN1CCN(c2nccnc2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ GAA P10253 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ TRPA1 O75762 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ FPR2 P25090 1/20 0.34
▸ CHRM2 P08172 1/20 0.34

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
SCHEMBL124268 0.80 POLB (0.60) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30592010 0.80 POLB (0.60) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL2587527 0.79 HRH3 (0.36) POLBDRD2
SCHEMBL5236520 0.76 POLB (0.55) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL3799622 0.75 PLA2G10 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AWNT1
SCHEMBL27147241 0.75 PLA2G10 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AWNT1
SCHEMBL3470166 0.75 PLA2G10 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AWNT1
SCHEMBL24495626 0.75 ALDH1A1 (0.55) POLBGAAALDH1A1MEN1KMT2A
SCHEMBL6793505 0.75 HRH3 (0.47) SMN1; SMN2
SCHEMBL31108113 0.73 GPR119 (0.43) SMN1; SMN2ALDH1A1MAPTKDM4E

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 POLB 3747/4885SMN1; SMN2 988/4885GAA 1191/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A POLB 3863/4885SMN1; SMN2 997/4885GAA 1167/4885
US-20120004241-A1 SUCCINATE SALT OF (2R)-METHYL-1-PIPERAZINE SUCNR1, HTR5A, HTR2C POLB 3064/4885SMN1; SMN2 767/4885GAA 3153/4885
US-20100256374-A1 NOVEL PROCESS HTR1A, TPH1, HTR5A POLB 4102/4885SMN1; SMN2 1537/4885GAA 1232/4885
US-20130158266-A1 (2R)-1-(3-Chloro-2-Pyrazinyl)-2-Methylpiperazine And Salts Thereof HTR2C, HTR5A, HTR2A POLB 4536/4885SMN1; SMN2 1536/4885GAA 3399/4885
US-20040038981-A1 Novel Process HTR1A, TPH1, HTR1B POLB 3876/4885SMN1; SMN2 1631/4885GAA 931/4885
US-20120010410-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A POLB 4536/4885SMN1; SMN2 1536/4885GAA 3399/4885
US-20140329826-A1 (2R)-1-(3-CHLORO-2-PYRAZINYL)-2-METHYLPIPERAZINE AND SALTS THEREOF HTR2C, HTR5A, HTR2A POLB 4536/4885SMN1; SMN2 1536/4885GAA 3399/4885

“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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