SCHEMBL6185451

SCHEMBL6185451

CC1(C)CC(=O)Nc2c(OCCN3CCN(c4noc5cc(F)ccc45)CC3)cccc21

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.47
DRD2 P14416 9/20 0.47
HTR1A P08908 6/20 0.47
HTR7 P34969 2/20 0.45
KCNH2 Q12809 1/20 0.43

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
SCHEMBL6184238 0.96 HTR2A (0.47) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6186709 0.95 HTR2A (0.46) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6188819 0.92 HTR2A (0.46) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6187016 0.90 HTR2A (0.52) HTR2ADRD2HTR1A
SCHEMBL6186005 0.88 HTR2A (0.46) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6187114 0.87 HTR2A (0.45) HTR2ADRD2HTR1AHTR7KCNH2
SCHEMBL6264654 0.86 HTR2A (0.51) HTR2ADRD2HTR1AHTR7
SCHEMBL6186307 0.85 HTR2A (0.54) HTR2ADRD2HTR1A
SCHEMBL6186374 0.85 DRD2 (0.51) HTR2ADRD2HTR1AHTR7
SCHEMBL6190118 0.82 HTR2A (0.54) HTR2ADRD2HTR1AHTR7

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 4/4885HTR1A 7/4885

“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.