SCHEMBL4169255

SCHEMBL4169255

CC(C)(C)OC(=O)NCCCc1cc2c3c(c1)c(=O)c(C(=O)O)cn3CCOC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
ATR Q13535 5/20 0.36
ATRIP Q8WXE1 3/20 0.36
AKT1 P31749 1/20 0.35
P2RY14 Q15391 1/20 0.34
DRD2 P14416 3/20 0.34
CYP1A1 P04798 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP3A43 Q9HB55 1/20 0.34
CNR2 P34972 1/20 0.33
GSK3B P49841 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4183931 0.90 SIGMAR1 (0.37) SIGMAR1ATRATRIPP2RY14DRD2
SCHEMBL4183936 0.90 SIGMAR1 (0.37) SIGMAR1ATRATRIPP2RY14DRD2
SCHEMBL5435573 0.88 SIGMAR1 (0.40) SIGMAR1P2RY14DRD2GSK3BALDH1A1
SCHEMBL3975810 0.88 MTNR1A (0.41) SIGMAR1P2RY14DRD2CYP2D6CYP2C19
SCHEMBL5433734 0.88 SIGMAR1 (0.40) SIGMAR1P2RY14DRD2GSK3BALDH1A1
SCHEMBL5433728 0.88 SIGMAR1 (0.40) SIGMAR1P2RY14DRD2GSK3BALDH1A1
SCHEMBL4183933 0.83 SIGMAR1 (0.35) SIGMAR1P2RY14DRD2CYP1A1CYP2D6
SCHEMBL4186478 0.82 DDB1 (0.39) SIGMAR1ATRATRIPALDH1A1
SCHEMBL4178090 0.82 SIGMAR1 (0.37) SIGMAR1AKT1P2RY14CYP2D6CYP2C19
SCHEMBL4134781 0.82 DDB1 (0.40) SIGMAR1P2RY14CNR2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20080096829-A1 Macrolone Compounds GLAXO GROUP LIMITED (GB) 2008-04-24 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 (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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 SIGMAR1 1925/4885ATR 4662/4885ATRIP 4634/4885
US-20080096829-A1 Macrolone Compounds MRPL21, MRPS18A, MRPL19 SIGMAR1 601/4885ATR 4610/4885ATRIP 4601/4885

“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.