SCHEMBL6159039

SCHEMBL6159039

CC(C)(C)OC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(COc4ccc(Cl)cc4)cc3)cc2CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.52
HTR2A P28223 4/20 0.52
HTR2C P28335 4/20 0.52
DRD3 P35462 4/20 0.52
HTR6 P50406 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
STS P08842 2/20 0.50
AR P10275 1/20 0.50
KCNA1 Q09470 3/20 0.48
KCNAB1 Q14722 3/20 0.48
GPR119 Q8TDV5 3/20 0.47
MLNR O43193 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ESR2 Q92731 1/20 0.44
TGFBR1 P36897 1/20 0.44

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
SCHEMBL5451651 0.86 DRD2 (0.71) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL5451614 0.85 KCNA1 (0.52) DRD2HTR2AHTR2CDRD3HTR6
Hydrochloric Acid SCHEMBL5446652 0.85 DRD2 (0.70) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL5434427 0.85 KCNA1 (0.55) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL6365396 0.81 KCNA1 (0.52) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL30199070 0.81 ESR2 (0.58) GPR119ALDH1A1ESR2
SCHEMBL29097838 0.81 ESR2 (0.58) GPR119ALDH1A1ESR2
SCHEMBL6365439 0.81 KCNA1 (0.60) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL5778881 0.81 KCNA1 (0.57) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL5440052 0.80 KCNA1 (0.56) DRD2HTR2AHTR2CDRD3HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
EP-1503989-A1 DOPAMINE RECEPTOR MODULATORS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-09 EP disclosed
WO-2003095428-A1 DOPAMINE RECEPTOR MODULATORS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-11-20 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-20070043026-A1 Dopamine receptor modulators as antipsychotic agents SIGMAR1, CHRM1, OPRM1 DRD2 25/4885HTR2A 84/4885HTR2C 30/4885

“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.