SCHEMBL6811030

SCHEMBL6811030

CC1(C)CCN(C(=O)C2CCCCC2)c2c(CCN3CCN(c4nsc5ccccc45)CC3)cccc21

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.73
DRD2 P14416 16/20 0.73
HTR1A P08908 3/20 0.50
DRD3 P35462 2/20 0.50
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL6206072 0.88 HTR2A (0.68) HTR2ADRD2HTR1A
SCHEMBL6810810 0.86 HTR2A (0.69) HTR2ADRD2HTR1A
SCHEMBL6205764 0.83 HTR2A (0.62) HTR2ADRD2HTR1A
SCHEMBL6807595 0.81 HTR2A (0.58) HTR2ADRD2HTR1A
SCHEMBL6816590 0.79 HTR2A (0.54) HTR2ADRD2HTR1A
SCHEMBL6207690 0.77 HTR2A (0.70) HTR2ADRD2HTR1ADRD3CHRM2
SCHEMBL6190074 0.77 HTR2A (0.67) HTR2ADRD2HTR1ADRD3CHRM2
SCHEMBL6205715 0.77 HTR2A (0.70) HTR2ADRD2HTR1A
SCHEMBL6185292 0.74 HTR2A (1.00) HTR2ADRD2HTR1ADRD3CHRM2
SCHEMBL6187950 0.74 HTR2A (0.58) HTR2ADRD2HTR1A

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-20040067960-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia DAVIS JAMIE MARIE (US) 2004-04-08 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-20040067960-A1 Heterocyclic substituted piperazines for the treatment of schizophrenia HTR2C, CNR1, HTR2A HTR2A 3/4885DRD2 4/4885HTR1A 7/4885

“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.