SCHEMBL6744944

SCHEMBL6744944

CC1CC(=O)N(CC(=O)C(C)(C)C)c2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.56
DRD2 P14416 13/20 0.56
HTR1A P08908 12/20 0.54
KCNH2 Q12809 11/20 0.54
HTR7 P34969 1/20 0.51

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
SCHEMBL6746157 0.91 HTR2A (0.57) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6750987 0.89 HTR2A (0.61) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6747860 0.89 HTR2A (0.54) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6744476 0.88 DRD2 (0.57) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6751007 0.87 HTR1A (0.54) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6748037 0.87 HTR2A (0.58) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL9367248 0.86 HTR2A (0.68) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6747865 0.85 HTR2A (0.51) HTR2ADRD2HTR1AHTR7
SCHEMBL6751034 0.82 HTR2A (0.55) HTR2ADRD2HTR1AKCNH2HTR7
SCHEMBL6748874 0.81 HTR1A (0.52) HTR2ADRD2HTR1AKCNH2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia ANDREANA TONJA LYNN (US) 2004-07-15 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-20040138230-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia CNR1, DRD2, CNR2 HTR2A 16/4885DRD2 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.