SCHEMBL6204580

SCHEMBL6204580

CC1(C)CC12C(=O)Nc1cc(Cl)c(CCN3CCN(c4nsc5ccccc45)CC3)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.68
DRD2 P14416 7/20 0.68
KCNH2 Q12809 2/20 0.68
HTR1A P08908 2/20 0.68
HTR7 P34969 2/20 0.68
HTR3E A5X5Y0 1/20 0.68
HTR3B O95264 1/20 0.68
ABCB11 O95342 1/20 0.68
PGR P06401 1/20 0.68
CHRM2 P08172 1/20 0.68
ADRA2A P08913 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
MAPT P10636 1/20 0.68
CHRM1 P11229 1/20 0.68
GOT1 P17174 1/20 0.68
ADRA2B P18089 1/20 0.68
ADRA2C P18825 1/20 0.68
DRD1 P21728 1/20 0.68
DRD4 P21917 1/20 0.68
SLC6A2 P23975 1/20 0.68

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
SCHEMBL6795320 0.95 HTR1A (0.61) HTR2ADRD2KCNH2HTR1AHTR7
SCHEMBL9369746 0.86 HTR2A (0.75) HTR2ADRD2KCNH2HTR1AHTR7
SCHEMBL6790516 0.86 HTR1A (0.60) HTR2ADRD2KCNH2HTR1AHTR7
SCHEMBL6795599 0.83 HTR1A (0.54) HTR2ADRD2KCNH2HTR1AHTR7
SCHEMBL6218981 0.82 HTR1A (0.68) HTR2ADRD2KCNH2HTR1AHTR7
SCHEMBL30817457 0.81 HTR2A (0.72) HTR2ADRD2KCNH2HTR1AHTR7
SCHEMBL29167311 0.81 HTR2A (0.72) HTR2ADRD2KCNH2HTR1AHTR7
Ziprasidone SCHEMBL4774002 0.81 HTR2A (1.00) HTR2ADRD2KCNH2HTR1AHTR7
Ziprasidone SCHEMBL29368426 0.81 HTR2A (1.00) HTR2ADRD2KCNH2HTR1AHTR7
Ziprasidone SCHEMBL28028 0.81 HTR2A (1.00) HTR2ADRD2KCNH2HTR1AHTR7

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
EP-1558608-A1 OXINDOLE SUBSTITUTED PIPERAZINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-08-03 EP disclosed
US-20040142933-A1 Oxindole substituted piperazine derivatives FORREST GEORGE WILLIAM (CA) 2004-07-22 US disclosed
WO-2004037820-A1 OXINDOLE SUBSTITUTED PIPERAZINE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-05-06 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-20040142933-A1 Oxindole substituted piperazine derivatives OPRK1, OPRD1, CNR1 HTR2A 12/4885DRD2 21/4885KCNH2 1205/4885

“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.