SCHEMBL5451614

SCHEMBL5451614

CC(C)(C)OC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(COS(C)(=O)=O)cc3)cc2CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA1 Q09470 3/20 0.52
KCNAB1 Q14722 3/20 0.52
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
CYP2C19 P33261 2/20 0.49
HTR6 P50406 2/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TGFBR1 P36897 4/20 0.46
ESR2 Q92731 1/20 0.45
MLNR O43193 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LIMK2 P53671 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
SCHEMBL5434427 0.89 KCNA1 (0.55) KCNA1KCNAB1DRD2DRD3CYP1A2
SCHEMBL6365396 0.85 KCNA1 (0.52) KCNA1KCNAB1DRD2DRD3CYP1A2
SCHEMBL1789713 0.85 ESR2 (0.55) NPC1RAB9AESR2GPR119
SCHEMBL6159039 0.85 DRD2 (0.52) KCNA1KCNAB1DRD2DRD3CYP1A2
SCHEMBL6365439 0.84 KCNA1 (0.60) KCNA1KCNAB1DRD2DRD3CYP1A2
SCHEMBL5778881 0.84 KCNA1 (0.57) KCNA1KCNAB1DRD2DRD3CYP1A2
SCHEMBL5440052 0.84 KCNA1 (0.56) KCNA1KCNAB1DRD2DRD3CYP1A2
SCHEMBL7017461 0.82 NPC1 (0.58) KCNA1KCNAB1NPC1RAB9AESR2
SCHEMBL18553751 0.80 MEN1 (0.57) KCNA1KCNAB1NPC1RAB9ATGFBR1
SCHEMBL6365191 0.80 DRD2 (0.59) KCNA1KCNAB1DRD2DRD3CYP1A2

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 5 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
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 KCNA1 418/4885KCNAB1 495/4885DRD2 25/4885

“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.