SCHEMBL6185058

SCHEMBL6185058

CC(=O)N1CCC(c2ccccc2)c2cccc(CCN3CCN(c4nsc5ccccc45)CC3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 20/20 1.00
DRD2 P14416 15/20 1.00
HTR1A P08908 6/20 0.51
KCNH2 Q12809 5/20 0.51
DRD3 P35462 1/20 0.49

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
SCHEMBL6206072 0.79 HTR2A (0.68) HTR2ADRD2HTR1A
SCHEMBL6187829 0.79 HTR2A (0.73) HTR2ADRD2HTR1AKCNH2DRD3
SCHEMBL6205715 0.76 HTR2A (0.70) HTR2ADRD2HTR1A
SCHEMBL6184248 0.76 HTR2A (1.00) HTR2ADRD2HTR1AKCNH2DRD3
SCHEMBL6205764 0.74 HTR2A (0.62) HTR2ADRD2HTR1A
SCHEMBL6107900 0.74 HTR2A (0.59) HTR2ADRD2HTR1AKCNH2DRD3
SCHEMBL6107839 0.72 HTR2A (0.59) HTR2ADRD2HTR1ADRD3
SCHEMBL6810810 0.72 HTR2A (0.69) HTR2ADRD2HTR1A
SCHEMBL6105394 0.72 HCAR2 (0.58) HTR2ADRD2HTR1ADRD3
SCHEMBL6105385 0.72 HTR2A (0.58) HTR2ADRD2HTR1A

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.