SCHEMBL8086351

SCHEMBL8086351

Cc1nc2n(c(=O)c1CCN1CCC(/C(=N/O)c3ccc(F)cc3F)CC1)CCCC2OC1CCCCO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.47
DRD2 P14416 17/20 0.47
KCNH2 Q12809 5/20 0.47
HTR2C P28335 4/20 0.47
ADRA1A P35348 4/20 0.47
HRH1 P35367 4/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
HTR7 P34969 2/20 0.47
DRD3 P35462 2/20 0.47
SCN5A Q14524 2/20 0.47
KCND3 Q9UK17 1/20 0.47
HTR1A P08908 11/20 0.41
SLC22A2 O15244 1/20 0.41

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
SCHEMBL3754911 0.84 HTR2A (0.60) HTR2ADRD2KCNH2HTR2CADRA1A
SCHEMBL3754907 0.84 HTR2A (0.60) HTR2ADRD2KCNH2HTR2CADRA1A
SCHEMBL8081063 0.84 HTR2A (0.60) HTR2ADRD2KCNH2HTR2CADRA1A
SCHEMBL8075377 0.80 DRD2 (0.75) HTR2ADRD2KCNH2HTR2CADRA1A
SCHEMBL8027267 0.79 DRD2 (0.58) HTR2ADRD2KCNH2HTR2CADRA1A
SCHEMBL5261135 0.79 DRD2 (0.58) HTR2ADRD2KCNH2HTR2CADRA1A
SCHEMBL5261132 0.79 DRD2 (0.58) HTR2ADRD2KCNH2HTR2CADRA1A
SCHEMBL8084414 0.75 HTR2A (0.38) HTR2ADRD2KCNH2HTR2CADRA1A
SCHEMBL28424510 0.74 HTR2A (0.63) HTR2ADRD2KCNH2HTR2CADRA1A
SCHEMBL7291793 0.73 HTR1A (0.53) HTR2ADRD2KCNH2HTR2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036470-A1 PALIPERIDONE DERIVATIVES SYNTHON BV (NL) 2009-02-05 US disclosed
US-20090036470-A1 PALIPERIDONE DERIVATIVES SYNTHON BV (NL) 2009-02-05 US disclosed
WO-2009015828-A1 PALIPERIDONE DERIVATIVES SYNTHON B.V. (NL) 2009-02-05 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-20090036470-A1 PALIPERIDONE DERIVATIVES NPY1R, NPY4R, GLP1R HTR2A 501/4885DRD2 440/4885KCNH2 1392/4885

“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.