SCHEMBL4313429

SCHEMBL4313429

Nc1cccc2ccc(OCCOc3nccnc3N3CCNCC3)cc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.44
HTR1A P08908 2/20 0.42
HTR1D P28221 2/20 0.42
HTR1B P28222 2/20 0.42
HTR5A P47898 1/20 0.36
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HTR6 P50406 1/20 0.35
PRMT5 O14744 1/20 0.35
PIK3CD O00329 1/20 0.35
NCF1 P14598 1/20 0.35

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
SCHEMBL4313514 0.86 HTR2C (0.48) HTR2CHTR5AHRH1HRH3
SCHEMBL4311413 0.82 TSHR (0.40) HTR2C
SCHEMBL4311144 0.82 DRD3 (0.44) HTR2CHTR1A
SCHEMBL6202944 0.80 HTR2C (0.39) HTR2CHTR1AHTR6
SCHEMBL4308179 0.80 CYP2D6 (0.42) HTR2CHTR1ANCF1
SCHEMBL4320133 0.79 HTR2C (0.42) HTR2CHTR6
SCHEMBL4316308 0.79 LTA4H (0.42) HTR2CHTR6
SCHEMBL4318635 0.78 HTR2C (0.56) HTR2CHTR1AHTR1DHTR1BHTR5A
SCHEMBL4315672 0.78 ADRB1 (0.52) HTR2CHTR1AHRH3HTR6NCF1
SCHEMBL4322649 0.78 HTR2C (0.56) HTR2CHTR1AHTR1DHTR1BHTR5A

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-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
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
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 HTR2C 1/4885HTR1A 5/4885HTR1D 11/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A HTR2C 1/4885HTR1A 5/4885HTR1D 12/4885

“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.