SCHEMBL6224447

SCHEMBL6224447

CC1c2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc2NC(=O)C1(C)C

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.60
HTR1A P08908 11/20 0.60
DRD2 P14416 10/20 0.60
KCNH2 Q12809 10/20 0.60
HTR7 P34969 1/20 0.58

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
SCHEMBL9366133 0.86 HTR2A (0.60) HTR2AHTR1ADRD2KCNH2HTR7
SCHEMBL9366415 0.85 HTR2A (0.70) HTR2AHTR1ADRD2KCNH2HTR7
SCHEMBL9366449 0.85 HTR2A (0.70) HTR2AHTR1ADRD2KCNH2HTR7
SCHEMBL6219065 0.85 HTR2A (0.70) HTR2AHTR1ADRD2KCNH2HTR7
SCHEMBL6790516 0.84 HTR1A (0.60) HTR2AHTR1ADRD2KCNH2HTR7
SCHEMBL5767939 0.84 HTR1A (0.62) HTR2AHTR1ADRD2KCNH2HTR7
Hydrochloric Acid SCHEMBL9367301 0.83 HTR2A (0.68) HTR2AHTR1ADRD2KCNH2HTR7
Hydrochloric Acid SCHEMBL9366488 0.83 HTR2A (0.68) HTR2AHTR1ADRD2KCNH2HTR7
Hydrochloric Acid SCHEMBL9366678 0.83 HTR2A (0.68) HTR2AHTR1ADRD2KCNH2HTR7
SCHEMBL6744861 0.82 HTR2A (0.55) HTR2AHTR1ADRD2

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 HTR2A 16/4885HTR1A 17/4885DRD2 2/4885

“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.