SCHEMBL4316201

SCHEMBL4316201

NC1CCN(c2nccnc2OCCOc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
PDE10A Q9Y233 3/20 0.44
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MCHR1 Q99705 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL4314578 0.88 SIGMAR1 (0.41) LTA4HPDE10ASIGMAR1HRH4HRH2
SCHEMBL4320975 0.83 TSHR (0.42) PDE10ATSHRHSD17B10
SCHEMBL27530928 0.79 CACNA2D1 (0.44) PDE10AHRH4CACNA2D1CACNA2D2HRH3
SCHEMBL4312056 0.78 MAPT (0.46) PDE10ATSHRHSD17B10HRH2HRH1
SCHEMBL2385832 0.77 PRKCI (0.43) PDE10AMCHR1HRH4CACNA2D1CACNA2D2
SCHEMBL4308039 0.76 TSHR (0.48) LTA4HTSHRHSD17B10
SCHEMBL7473337 0.76 HRH4 (0.50) TSHRHSD17B10HRH4
Hydrochloric Acid SCHEMBL2383541 0.76 PRKCI (0.42) PDE10AMCHR1HRH4CACNA2D1CACNA2D2
SCHEMBL4310871 0.74 MAPK1 (0.48) TSHRHSD17B10TMEM97SIGMAR1HRH4
SCHEMBL4326876 0.73 HTR2C (0.48) LTA4HTSHRHSD17B10

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 LTA4H 1451/4885PDE10A 1146/4885TSHR 457/4885
US-20040242554-A1 CERTAIN ARYLALIPHATIC AND HETEROARYL-ALIPHATIC PIPERAZINYL PYRAZINES AND THEIR USE IN THE TREATMENT OF SEROTONIN-RELATED DISEASES HTR2C, HTR3C, HTR2A LTA4H 1404/4885PDE10A 1087/4885TSHR 531/4885

“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.