SCHEMBL6034697

SCHEMBL6034697

CN(C)C1CCN(S(=O)(=O)c2ccc(Br)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.49
HTR6 P50406 3/20 0.47
TSHR P16473 2/20 0.47
NAMPT P43490 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRPV4 Q9HBA0 1/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
ATR Q13535 1/20 0.45
JAK2 O60674 2/20 0.45
JAK1 P23458 2/20 0.45
HSD11B1 P28845 1/20 0.45

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
SCHEMBL6110703 0.86 USP5 (0.46) USP5TSHRNAMPTEPHX2ALDH1A1
SCHEMBL15068032 0.83 MCOLN3 (0.45) USP5HTR6TSHRNAMPTTRPV4
SCHEMBL6111481 0.82 HSD11B1 (0.48) HTR6NAMPTATRJAK2JAK1
SCHEMBL6110503 0.81 TSHR (0.45) USP5TSHRNAMPTMEN1KMT2A
SCHEMBL30513389 0.80 CYP2D6 (0.66) MEN1KMT2ATRPV4LMNAALDH1A1
SCHEMBL16379566 0.80 EPHX2 (0.49) USP5TSHRMEN1KMT2ATDP1
SCHEMBL16345130 0.80 EPHX2 (0.49) USP5TSHRMEN1KMT2ATDP1
SCHEMBL16345132 0.80 EPHX2 (0.49) USP5TSHRMEN1KMT2ATDP1
SCHEMBL15539040 0.78 AKR1C3 (0.51) USP5TSHREPHX2LMNAALDH1A1
SCHEMBL16777043 0.78 AKR1C3 (0.51) USP5TSHREPHX2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL USP5 3812/4885HTR6 222/4885TSHR 898/4885

“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.