SCHEMBL6748064

SCHEMBL6748064

COC(=O)C(C)n1c(=O)c(C)c(C)c2cc(CCN3CCN(c4noc5ccccc45)CC3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.47
HTR7 P34969 2/20 0.47
DRD2 P14416 12/20 0.46
DRD4 P21917 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
HTR1A P08908 7/20 0.44
HTR6 P50406 1/20 0.43

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
SCHEMBL6749992 0.91 HTR2A (0.47) HTR2AHTR7DRD2HTR1A
SCHEMBL6751049 0.86 HTR2A (0.45) HTR2AHTR7DRD2HTR1AHTR6
SCHEMBL6748947 0.83 ABCC1 (0.47) HTR2AHTR7DRD2DRD4SIGMAR1
SCHEMBL6748944 0.83 HTR2A (0.46) HTR2AHTR7DRD2DRD4SIGMAR1
SCHEMBL6747931 0.82 HTR2A (0.49) HTR2AHTR7DRD2HTR1AHTR6
SCHEMBL6746150 0.82 HTR2A (0.46) HTR2AHTR7DRD2DRD4SIGMAR1
SCHEMBL6744885 0.81 HTR2A (0.46) HTR2AHTR7DRD2HTR1A
SCHEMBL6745309 0.81 DRD2 (0.44) HTR2AHTR7DRD2DRD4SIGMAR1
SCHEMBL6748922 0.80 HTR2A (0.46) HTR2AHTR7DRD2HTR1AHTR6
SCHEMBL6220399 0.75 HTR2A (0.51) HTR2AHTR7DRD2HTR1AHTR6

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 16/4885HTR7 119/4885DRD2 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.