SCHEMBL6046283

SCHEMBL6046283

CC(COc1ccccc1)Oc1nccnc1N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 3/20 0.42
HTR1A P08908 2/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2C P28335 1/20 0.41
HTR6 P50406 4/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
LTA4H P09960 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
SCHEMBL6046294 0.91 HTR6 (0.43) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL4313461 0.89 ADRB1 (0.38) HTR2C
SCHEMBL4319469 0.88 ADRB1 (0.47) HTR1AHTR2CHTR6HTR2AHTR7
SCHEMBL4316454 0.85 HTR6 (0.46) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL4316298 0.85 HTR2C (0.42) SLC6A2HTR1ASLC6A4HTR2CHTR6
SCHEMBL4317297 0.85 CYP2C19 (0.44) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL4309987 0.84 HRH4 (0.50) SLC6A2SLC6A3HTR1ASLC6A4HTR6
SCHEMBL4308039 0.80 TSHR (0.48) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL4326876 0.79 HTR2C (0.48) SLC6A2SLC6A3HTR1ASLC6A4HTR2C
SCHEMBL4324612 0.79 HTR2C (0.48) SLC6A2SLC6A3HTR1ASLC6A4HTR2C

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 6 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
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
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 SLC6A2 113/4885SLC6A3 64/4885HTR1A 5/4885

“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.