SCHEMBL4314768

SCHEMBL4314768

FC(F)(F)c1cccc(OCCOc2nccnc2N2CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.52
ALDH1A1 P00352 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR1D P28221 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
EPHX2 P34913 1/20 0.46
ADRB1 P08588 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TRPA1 O75762 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
LTA4H P09960 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL4314641 0.87 SCN4A (0.44) HTR2CEPHX2
SCHEMBL4308724 0.85 EPHX2 (0.40) HTR2CEPHX2ADRB1
SCHEMBL4316517 0.85 HTR1A (0.53) HTR2CHTR1DEPHX2
SCHEMBL4313451 0.83 KDM4E (0.39) HTR2CALDH1A1EPHX2ADRB1KDM4E
SCHEMBL2640084 0.83 CHRNB2 (0.49) HTR2CADRB1
SCHEMBL6202944 0.83 HTR2C (0.39) HTR2CALDH1A1EPHX2ADRB1KDM4E
SCHEMBL4315672 0.83 ADRB1 (0.52) HTR2CHTR3AADRB1HRH3NCF1
SCHEMBL4318628 0.83 HTT (0.42) ALDH1A1L3MBTL1KDM4EGAAHTT
SCHEMBL4311413 0.83 TSHR (0.40) HTR2CEPHX2ADRB1LTA4H
SCHEMBL4308710 0.83 CHRNB4 (0.40) HTR2CALDH1A1KDM4E

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 1/4885ALDH1A1 763/4885HTR3E 28/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A HTR2C 1/4885ALDH1A1 724/4885HTR3E 28/4885

“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.