SCHEMBL6219780

SCHEMBL6219780

CC1(C)CC(=O)Nc2ccc(CCCN3CCN(c4n[nH]c5ccccc45)CC3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
DRD2 P14416 9/20 0.42
HTR1A P08908 7/20 0.42
HTR2A P28223 5/20 0.42
DRD3 P35462 3/20 0.42
SLC6A4 P31645 3/20 0.42
DRD4 P21917 2/20 0.42
HTR2C P28335 2/20 0.42
HTR7 P34969 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
ABCB11 O95342 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 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
SCHEMBL6218716 0.94 HTR1A (0.47) PARP1DRD2HTR1AHTR2ADRD3
SCHEMBL6745326 0.86 HTR1A (0.56) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL6221472 0.84 DRD2 (0.44) PARP1DRD2HTR1AHTR2ADRD3
SCHEMBL6220416 0.81 DRD2 (0.47) PARP1DRD2HTR1AHTR2ADRD3
SCHEMBL6745366 0.80 PARP1 (0.42) PARP1DRD2HTR1AHTR2ADRD3
SCHEMBL9367637 0.80 HTR1A (0.60) DRD2HTR1AHTR2ADRD3SLC6A4
SCHEMBL28753730 0.79 DRD2 (0.49) PARP1DRD2HTR1AHTR2ADRD3
SCHEMBL6222628 0.78 HTR2A (0.52) DRD2HTR1AHTR2ASLC6A4HTR7
SCHEMBL6249852 0.78 HTR2A (0.53) PARP1DRD2HTR1AHTR2ADRD3
SCHEMBL6219433 0.78 HTR1A (0.47) PARP1DRD2HTR1AHTR2ADRD3

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 PARP1 3011/4885DRD2 2/4885HTR1A 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.