SCHEMBL6190074

SCHEMBL6190074

CN1C(=O)CC(C)(C)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.67
DRD2 P14416 10/20 0.67
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
ABCB11 O95342 1/20 0.53
PGR P06401 1/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAPT P10636 1/20 0.53
CHRM1 P11229 1/20 0.53
GOT1 P17174 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
SLC6A2 P23975 1/20 0.53
HRH2 P25021 1/20 0.53
ADRA1D P25100 1/20 0.53

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
SCHEMBL6188307 0.84 HTR2A (0.73) HTR2ADRD2HTR3EHTR3BABCB11
Hydrochloric Acid SCHEMBL6187796 0.83 HTR2A (0.72) HTR2ADRD2HTR3EHTR3BABCB11
SCHEMBL6206072 0.81 HTR2A (0.68) HTR2ADRD2HTR1A
SCHEMBL6810810 0.79 HTR2A (0.69) HTR2ADRD2HTR1AHTR7HTR6
SCHEMBL6185890 0.79 HTR2A (0.66) HTR2ADRD2
SCHEMBL6186007 0.78 HTR2A (0.73) HTR2ADRD2HTR3EHTR3BABCB11
SCHEMBL6219125 0.78 HTR1A (0.52) HTR2ADRD2HTR1AHTR7
SCHEMBL6185292 0.77 HTR2A (1.00) HTR2ADRD2HTR3EHTR3BABCB11
SCHEMBL6811030 0.77 HTR2A (0.73) HTR2ADRD2CHRM2HTR1AADRA2A
SCHEMBL6205764 0.77 HTR2A (0.62) HTR2ADRD2HTR1AHTR7HTR6

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 4 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 claimed
WO-2004029048-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-08 WO claimed
US-20040067960-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia DAVIS JAMIE MARIE (US) 2004-04-08 US claimed
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 4/4885HTR3E 154/4885

“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.