SCHEMBL6219285

SCHEMBL6219285

CC1Cc2cc(CCCN3CCN(c4n[nH]c5ccccc45)CC3)ccc2NC1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.47
HTR2A P28223 8/20 0.47
HTR1A P08908 8/20 0.43
DRD3 P35462 2/20 0.43
HTR2C P28335 2/20 0.43
HTR7 P34969 2/20 0.43
DRD4 P21917 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
PARP1 P09874 1/20 0.42
HTR6 P50406 1/20 0.39

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
SCHEMBL6219855 0.95 HTR2A (0.51) DRD2HTR2AHTR1AHTR2CSLC6A4
SCHEMBL6220987 0.93 DRD2 (0.49) DRD2HTR2AHTR1ADRD3HTR2C
SCHEMBL6219541 0.86 HTR2A (0.65) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL6222349 0.84 HTR2A (0.54) DRD2HTR2AHTR1AHTR7DRD4
SCHEMBL6220416 0.84 DRD2 (0.47) DRD2HTR2AHTR1ADRD3HTR2C
SCHEMBL6221472 0.83 DRD2 (0.44) DRD2HTR2AHTR1ADRD3HTR2C
SCHEMBL6220739 0.80 HTR2A (0.70) DRD2HTR2AHTR1ADRD3HTR2C
SCHEMBL6219902 0.79 PARP1 (0.44) DRD2HTR2AHTR1AHTR7SLC6A4
SCHEMBL6219096 0.79 HTR2A (0.58) DRD2HTR2AHTR1AADRA1DADRA1A
SCHEMBL6218530 0.78 HTR2A (0.51) DRD2HTR2AHTR1AHTR7SLC6A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546143-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2005-06-29 EP claimed
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 US claimed
WO-2004026864-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-01 WO claimed
EP-1546143-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2005-06-29 EP disclosed
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 US disclosed
WO-2004026864-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-01 WO 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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 DRD2 2/4885HTR2A 16/4885HTR1A 17/4885

“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.