SCHEMBL6219902

SCHEMBL6219902

CC1C(=O)Nc2ccc(CCN3CCN(c4n[nH]c5ccccc45)CC3)cc2C1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
HTR1A P08908 8/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2A P28223 10/20 0.42
DRD2 P14416 9/20 0.42
KCNH2 Q12809 5/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL6218530 0.86 HTR2A (0.51) PARP1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL9366133 0.85 HTR2A (0.60) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6219855 0.84 HTR2A (0.51) PARP1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL27613982 0.84 HTR1A (0.42) PARP1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL6219645 0.83 HTR2A (0.56) HTR1AHTR2ADRD2
SCHEMBL6220416 0.81 DRD2 (0.47) PARP1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL6219285 0.79 DRD2 (0.47) PARP1HTR1ASLC6A4HTR2ADRD2
SCHEMBL6219433 0.77 HTR1A (0.47) PARP1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL6218716 0.77 HTR1A (0.47) PARP1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL9778374 0.76 ABCB1 (0.60) PARP1HTR1AHTR2ADRD2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1701072-A Heterocyclic substituted piperazines for the treatment of schizophrenia WARNER LAMBERT CO (US) 2005-11-23 CN claimed
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
CN-1701072-A Heterocyclic substituted piperazines for the treatment of schizophrenia WARNER LAMBERT CO (US) 2005-11-23 CN disclosed
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 3011/4885HTR1A 17/4885HTR1D 10/4885

“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.