SCHEMBL4313634

SCHEMBL4313634

c1ccc(COCCOc2nccnc2N2CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HTR6 P50406 3/20 0.46
HTR2C P28335 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
PRMT5 O14744 3/20 0.42
KIT P10721 1/20 0.42
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
ACHE P22303 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL4315394 0.85 PRMT5 (0.48) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL4314576 0.85 HTR6 (0.48) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL4308039 0.84 TSHR (0.48) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL4319828 0.84 HRH4 (0.51) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL4326876 0.81 HTR2C (0.48) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL4324612 0.81 HTR2C (0.48) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL4315346 0.80 CHRNB2 (0.46) HTR1ASLC6A2SLC6A4SLC6A3HTR6
SCHEMBL4312817 0.80 PLD1 (0.47) HTR1ASLC6A2HTR6HTR2CEPHX2
SCHEMBL2385259 0.79 HRH4 (0.48) HTR1ASLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL4311402 0.79 HTR2C (0.44) HTR1AHTR6HTR2CEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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 (2 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 HTR1A 5/4885SLC6A2 120/4885SLC6A4 50/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A HTR1A 5/4885SLC6A2 113/4885SLC6A4 47/4885

“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.