SCHEMBL805329

SCHEMBL805329

Cc1nc2n(c(=O)c1CCN1CCC(c3noc4c3C=CC(F)C4)CC1)CCCC2OCCCCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.40
DRD2 P14416 17/20 0.40
HTR2C P28335 4/20 0.40
ADRA1A P35348 4/20 0.40
HRH1 P35367 4/20 0.40
KCNH2 Q12809 4/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD5 P21918 2/20 0.40
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR7 P34969 2/20 0.40
DRD3 P35462 2/20 0.40
SCN5A Q14524 2/20 0.40
KCND3 Q9UK17 1/20 0.40
HTR1A P08908 11/20 0.34
SLC22A2 O15244 1/20 0.34

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
SCHEMBL800565 0.85 DRD2 (0.60) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL6911112 0.77 HTR2A (0.63) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL801110 0.76 DRD2 (0.53) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL21074575 0.75 HTR2A (0.43) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL21074582 0.75 HTR2A (0.45) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL15907987 0.74 DRD2 (0.65) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL13394316 0.72 DRD2 (0.62) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL15907986 0.71 DRD2 (0.60) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL12295328 0.71 DRD2 (0.52) HTR2ADRD2HTR2CADRA1AHRH1
SCHEMBL801029 0.71 HTR2A (0.70) HTR2ADRD2HTR2CADRA1AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071636-A1 RISPERIDONE IMMUNOASSAY SHANGHAI FOSUN PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2012-03-22 US 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-20120071636-A1 RISPERIDONE IMMUNOASSAY PRLHR, PA2G4, PRSS12 HTR2A 93/4885DRD2 26/4885HTR2C 341/4885

“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.