SCHEMBL6046294

SCHEMBL6046294

CC(COc1nccnc1N1CCNCC1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
HTR2C P28335 1/20 0.41
SLC6A2 P23975 3/20 0.40
HTR1A P08908 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
LTA4H P09960 1/20 0.38
EPHX2 P34913 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
SCHEMBL6046283 0.91 SLC6A2 (0.42) HTR6HTR2AHTR7HTR2CSLC6A2
SCHEMBL7463679 0.84 HRH4 (0.56) HTR6HTR2AHTR7
SCHEMBL7475666 0.83 HTR2C (0.43) HTR6HTR2CSLC6A2HTR1ASLC6A4
SCHEMBL4319469 0.81 ADRB1 (0.47) HTR6HTR2AHTR7HTR2CHTR1A
SCHEMBL4316454 0.81 HTR6 (0.46) HTR6HTR2CSLC6A2HTR1ASLC6A3
SCHEMBL4316298 0.81 HTR2C (0.42) HTR6HTR2AHTR2CSLC6A2HTR1A
SCHEMBL4317297 0.81 CYP2C19 (0.44) HTR6HTR2AHTR7HTR2CSLC6A2
SCHEMBL4313461 0.80 ADRB1 (0.38) HTR2C
SCHEMBL4308039 0.80 TSHR (0.48) HTR6HTR2CSLC6A2HTR1ASLC6A3
SCHEMBL4326876 0.79 HTR2C (0.48) HTR6HTR2CSLC6A2HTR1ASLC6A3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7071180-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2006-07-04 US disclosed
CN-1242995-C Novel compounds, their use and preparation BIOWHEAT RHOM AB (SE) 2006-02-22 CN disclosed
EP-1178973-B1 PYRAZINYL-PIPERAZINE- COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2005-12-21 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-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 (1 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-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A HTR6 10/4885HTR2A 3/4885HTR7 13/4885

“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.