SCHEMBL6185067

SCHEMBL6185067

CC1(C)CC(=O)Nc2c(OCCCN3CCN(c4nsc5ccccc45)CC3)cc(F)cc21

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.57
HTR2A P28223 5/20 0.57
HTR1A P08908 3/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51

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
SCHEMBL6248922 0.98 DRD2 (0.56) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL6190072 0.96 HTR2A (0.58) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL6184750 0.89 DRD2 (0.55) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL6188464 0.86 HTR2A (0.55) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL6184766 0.85 HTR2A (0.75) DRD2HTR2AHTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL6187140 0.85 HTR2A (0.73) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL6811179 0.84 HTR2A (0.56) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL6190118 0.84 HTR2A (0.54) DRD2HTR2AHTR1AHTR7
SCHEMBL6183249 0.82 HTR2A (0.53) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL6186307 0.80 HTR2A (0.54) DRD2HTR2AHTR1A

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 DRD2 4/4885HTR2A 3/4885HTR1A 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.