SCHEMBL1552728

SCHEMBL1552728

CC(C)n1c(C(=O)N2CCS(=O)(=O)CC2)cc2cc(O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.45
CYP2D6 P10635 1/20 0.45
HRH4 Q9H3N8 2/20 0.38
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
CNR2 P34972 2/20 0.35
KMT2A Q03164 2/20 0.34
AHR P35869 1/20 0.34
MEN1 O00255 1/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
CASR P41180 1/20 0.33
PTGS2 P35354 1/20 0.32

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
SCHEMBL1552905 0.84 HRH3 (0.46) HRH3CYP2D6HRH4CLK1DYRK1A
SCHEMBL3543762 0.83 HRH3 (0.48) HRH3CYP2D6CNR2KMT2A
SCHEMBL3538951 0.80 CHRNA7 (0.50) HRH3CYP2D6KMT2AMEN1
SCHEMBL3540527 0.78 HRH3 (0.49) HRH3CYP2D6
SCHEMBL3539153 0.78 HRH3 (0.51) HRH3CYP2D6
SCHEMBL1552607 0.78 HRH3 (0.76) HRH3CYP2D6
SCHEMBL1553114 0.77 HRH3 (0.61) HRH3CYP2D6
SCHEMBL3546171 0.76 KMT2A (0.49) HRH3CYP2D6CNR2KMT2AMEN1
SCHEMBL1553470 0.76 ABCB11 (0.46) HRH3CYP2D6CLK1DYRK1ADYRK1B
SCHEMBL3540158 0.75 HRH3 (0.40) HRH3CYP2D6CNR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968967-B1 1,1-DIOXO-THIOMORPHOLINYL INDOLYL METHANONE DERIVATIVES FOR USE AS H3 MODULATORS HOFFMANN LA ROCHE (CH) 2011-04-27 EP disclosed
US-7538101-B2 1,1-dioxo-thiomorpholinyl indolyl methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-05-31 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-20070123526-A1 1,1-Dioxo-thiomorpholinyl indolyl methanone derivatives MTNR1A, HTR1A, HRH4 HRH3 4/4885CYP2D6 268/4885HRH4 3/4885

“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.