SCHEMBL3759668

SCHEMBL3759668

CN(CCN1CCCCC1)CC(O)=S

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.46
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
SLC6A2 P23975 1/20 0.41
TP53 P04637 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
TSHR P16473 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CYP3A4 P08684 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL3051235 0.89 HRH3 (0.42) SIGMAR1CYP1A2HRH3
SCHEMBL3049699 0.88 HRH3 (0.45) SIGMAR1CYP1A2HRH3
SCHEMBL3050164 0.87 MGLL (0.37) SIGMAR1
SCHEMBL14067191 0.80 SIGMAR1 (0.47) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL791946 0.80 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL14450497 0.78 L3MBTL1 (0.46) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL17539606 0.77 SIGMAR1 (0.60) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL3045299 0.76 PAOX (0.40) SIGMAR1
SCHEMBL11948188 0.76 SIGMAR1 (0.44) SIGMAR1SLC6A4SLC6A3SLC6A2TP53
SCHEMBL17528480 0.75 SIGMAR1 (0.58) SIGMAR1SLC6A4SLC6A3SLC6A2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305037-A1 CYCLOSPORIN DERIVATIVES FOR TREATING INFLAMMATORY DISEASES AND CONDITIONS ALLERGAN, INC. (US) 2010-12-02 US claimed
EP-0951474-B1 NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2002-06-05 EP claimed
EP-0948527-B1 CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2002-06-05 EP claimed
US-20140005124-A1 CYCLOSPORIN DERIVATIVES FOR TREATING INFLAMMATORY DISEASES AND CONDITIONS ALLERGAN, INC. (US) 2014-01-02 US disclosed
US-8524671-B2 Cyclosporin derivatives for treating inflammatory diseases and conditions ALLERGAN, INC (US) 2013-09-03 US disclosed
US-20100305037-A1 CYCLOSPORIN DERIVATIVES FOR TREATING INFLAMMATORY DISEASES AND CONDITIONS ALLERGAN, INC. (US) 2010-12-02 US disclosed
EP-0979244-B1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-03-02 EP disclosed
EP-1040121-B1 NOVEL METHOD FOR PREPARING CYLOSPORIN DERIVATIVES AVENTIS PHARMA (FR) 2004-07-21 EP disclosed
EP-0948527-B1 CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2002-06-05 EP disclosed
EP-0951474-B1 NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA SA (FR) 2002-06-05 EP disclosed
EP-0948527-A1 CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-13 EP disclosed
WO-1998028329-A1 CYCLOSPORIN DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-07-02 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 (2 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-20100305037-A1 CYCLOSPORIN DERIVATIVES FOR TREATING INFLAMMATORY DISEASES AND CONDITIONS MALT1, UACA, CD40 SIGMAR1 1951/4885SLC6A4 4196/4885SLC6A3 4497/4885
US-20140005124-A1 CYCLOSPORIN DERIVATIVES FOR TREATING INFLAMMATORY DISEASES AND CONDITIONS MALT1, UACA, CD40 SIGMAR1 1951/4885SLC6A4 4196/4885SLC6A3 4497/4885

“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.