SCHEMBL6186005

SCHEMBL6186005

CC1(C)CC(=O)Nc2c(OCCCN3CCN(c4noc5cc(F)ccc45)CC3)cc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.46
DRD2 P14416 6/20 0.46
HTR7 P34969 2/20 0.46
KCNH2 Q12809 2/20 0.46
HTR1A P08908 3/20 0.45
ABCB11 O95342 1/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
CCKBR P32239 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 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
SCHEMBL6187114 0.98 HTR2A (0.45) HTR2ADRD2HTR7KCNH2HTR1A
SCHEMBL6188819 0.96 HTR2A (0.46) HTR2ADRD2HTR7KCNH2HTR1A
SCHEMBL6184238 0.92 HTR2A (0.47) HTR2ADRD2HTR7KCNH2HTR1A
SCHEMBL6190118 0.92 HTR2A (0.54) HTR2ADRD2HTR7HTR1ADRD4
SCHEMBL6186709 0.90 HTR2A (0.46) HTR2ADRD2HTR7KCNH2HTR1A
SCHEMBL6183249 0.90 HTR2A (0.53) HTR2ADRD2HTR7HTR1ADRD4
SCHEMBL6185451 0.88 HTR2A (0.47) HTR2ADRD2HTR7KCNH2HTR1A
SCHEMBL6186307 0.88 HTR2A (0.54) HTR2ADRD2HTR1ADRD4SIGMAR1
SCHEMBL6264654 0.82 HTR2A (0.51) HTR2ADRD2HTR7HTR1ADRD4
SCHEMBL6743930 0.81 HTR2A (0.48) HTR2ADRD2HTR7KCNH2HTR1A

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-1546145-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-06-29 EP disclosed
WO-2004029048-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-08 WO disclosed
US-20040067960-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia DAVIS JAMIE MARIE (US) 2004-04-08 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-20040067960-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia HTR2C, CNR1, HTR2A HTR2A 3/4885DRD2 4/4885HTR7 74/4885

“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.