SCHEMBL4314641

SCHEMBL4314641

FC(F)(F)Oc1cccc(OCCOc2nccnc2N2CCNCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.44
SCN9A Q15858 1/20 0.44
EPHX2 P34913 1/20 0.43
PIM1 P11309 2/20 0.43
HTR2C P28335 1/20 0.39
SLC6A2 P23975 7/20 0.39
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
AKT2 P31751 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
SCHEMBL4308724 0.87 EPHX2 (0.40) EPHX2HTR2CSLC6A2HTR1ASLC6A4
SCHEMBL4314768 0.87 HTR2C (0.52) EPHX2HTR2C
SCHEMBL2640084 0.85 CHRNB2 (0.49) HTR2C
SCHEMBL4316517 0.85 HTR1A (0.53) EPHX2HTR2CSLC6A2HTR1ASLC6A4
SCHEMBL4315672 0.85 ADRB1 (0.52) HTR2CHTR1A
SCHEMBL6202944 0.85 HTR2C (0.39) EPHX2PIM1HTR2CSLC6A2HTR1A
SCHEMBL4313451 0.85 KDM4E (0.39) EPHX2HTR2CSLC6A2HTR1ASLC6A4
SCHEMBL4320133 0.84 HTR2C (0.42) HTR2C
SCHEMBL4325739 0.83 HTR2C (0.38) EPHX2HTR2CSLC6A2HTR1ASLC6A4
SCHEMBL4311413 0.83 TSHR (0.40) EPHX2HTR2C

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 SCN4A 430/4885SCN9A 999/4885EPHX2 1159/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A SCN4A 420/4885SCN9A 976/4885EPHX2 1116/4885

“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.