SCHEMBL6795320

SCHEMBL6795320

CC1(C)CC12C(=O)Nc1cc(Cl)c(CCCN3CCN(c4nsc5ccccc45)CC3)cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.61
HTR7 P34969 4/20 0.61
HTR2A P28223 3/20 0.61
KCNH2 Q12809 2/20 0.61
DRD2 P14416 2/20 0.61
HTR6 P50406 2/20 0.61
HTR3E A5X5Y0 1/20 0.61
HTR3B O95264 1/20 0.61
ABCB11 O95342 1/20 0.61
PGR P06401 1/20 0.61
CHRM2 P08172 1/20 0.61
ADRA2A P08913 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
MAPT P10636 1/20 0.61
CHRM1 P11229 1/20 0.61
GOT1 P17174 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
DRD1 P21728 1/20 0.61
DRD4 P21917 1/20 0.61

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
SCHEMBL6204580 0.95 HTR2A (0.68) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL6218981 0.87 HTR1A (0.68) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL6795599 0.86 HTR1A (0.54) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL6790516 0.83 HTR1A (0.60) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL9369746 0.82 HTR2A (0.75) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL5792289 0.81 HTR1A (0.90) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL5764070 0.78 HTR7 (0.65) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL5766918 0.77 HTR2A (0.52) HTR1AHTR7HTR2AKCNH2DRD2
SCHEMBL6220450 0.77 DRD2 (0.55) HTR1AHTR7HTR2AKCNH2DRD2
Ziprasidone SCHEMBL4774002 0.76 HTR2A (1.00) HTR1AHTR7HTR2AKCNH2DRD2

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-20040142933-A1 Oxindole substituted piperazine derivatives FORREST GEORGE WILLIAM (CA) 2004-07-22 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-20040142933-A1 Oxindole substituted piperazine derivatives OPRK1, OPRD1, CNR1 HTR1A 13/4885HTR7 69/4885HTR2A 12/4885

“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.