SCHEMBL2641037

SCHEMBL2641037

O=c1c(N2CCN(CCOc3ccccc3)CC2)nccn1CCOc1cc(F)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.44
DRD2 P14416 6/20 0.40
HTR1A P08908 5/20 0.40
HTR2A P28223 5/20 0.40
DRD3 P35462 4/20 0.40
DRD1 P21728 2/20 0.40
HRH1 P35367 4/20 0.39
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
KCNA5 P22460 1/20 0.39
LTA4H P09960 2/20 0.39
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 2/20 0.38
HRH2 P25021 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD5 P21918 1/20 0.38
HTR7 P34969 1/20 0.38
ABCB1 P08183 1/20 0.38
RAB9A P51151 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
SCHEMBL2641201 0.90 AURKA (0.42) AURKALTA4HKCNH2MCHR1
SCHEMBL5239845 0.89 HTR3E (0.43) DRD2HTR1ADRD3LTA4HHTR7
Hydrochloric Acid SCHEMBL2641413 0.88 HTR3E (0.43) DRD2HTR1ADRD3LTA4HHTR7
SCHEMBL13633482 0.87 HTR1A (0.54) AURKADRD2HTR1AHTR2ADRD3
SCHEMBL2641133 0.84 DRD2 (0.40) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL5235126 0.82 AURKA (0.41) AURKA
SCHEMBL2641109 0.81 HTR2C (0.39) HTR2AKCNH2
SCHEMBL2641164 0.80 HRH3 (0.36) HRH3
SCHEMBL13633465 0.78 HTR1A (0.51) DRD2HTR1AHTR2ADRD3DRD1
SCHEMBL5240101 0.77 KDM4E (0.35) DRD2HTR1AHTR2ASLC6A4

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4831966-B2 2011-12-07 JP claimed
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US claimed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP claimed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP claimed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US claimed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 WO claimed
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US disclosed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP disclosed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP disclosed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US disclosed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 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 (1 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-20040063693-A1 Compounds HTR1A, HTR1B, HTR2C AURKA 4357/4885DRD2 48/4885HTR1A 1/4885

“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.