SCHEMBL4319475

SCHEMBL4319475

Cc1ccc(F)c(OCCOc2nccnc2N2CCNCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.42
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 1/20 0.39
HTR6 P50406 1/20 0.38
SOS1 Q07889 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NMT1 P30419 1/20 0.37
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL4322400 0.88 TDP1 (0.43) HTR2CHTR1AKDM4EALDH1A1
SCHEMBL4312678 0.88 HTR2C (0.41) HTR2CHTR1ASLC6A2SLC6A4KCNH2
SCHEMBL4315654 0.86 HTR3A (0.42) HTR1AKDM4EALDH1A1
SCHEMBL4321105 0.86 L3MBTL1 (0.46) HTR1AKDM4EALDH1A1
SCHEMBL4328995 0.84 KCNH2 (0.40) HTR2CHTR1ASLC6A2KCNH2HTR6
SCHEMBL4324481 0.84 ADRB1 (0.45) HTR2CKCNH2SOS1EPHX2ALDH1A1
SCHEMBL4320202 0.83 HTR2C (0.50) HTR2CHTR1ASLC6A2SLC6A4HTR6
SCHEMBL4322355 0.82 HTR2C (0.50) HTR2CHTR1ASLC6A2HTR6SOS1
SCHEMBL4313594 0.79 KCNH2 (0.35) HTR2CHTR1ASLC6A2SLC6A4KCNH2
SCHEMBL4319483 0.79 HTR1A (0.53) HTR2CHTR1ASLC6A2SLC6A4HTR6

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 5/4885SLC6A2 120/4885
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 5/4885SLC6A2 113/4885

“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.