SCHEMBL3293178

SCHEMBL3293178

CCCCN(C(=O)OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCC(C)N)CN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
CAPN1 P07384 1/20 0.35
NOD1 Q9Y239 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
CYP3A4 P08684 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 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
SCHEMBL3295787 0.90 CAPN1 (0.35) DRD2CAPN1SIRT2CYP3A4CA14
SCHEMBL3288125 0.90 CAPN1 (0.35) DRD2CAPN1SIRT2CYP3A4CA14
SCHEMBL3294310 0.90 CAPN1 (0.35) DRD2CAPN1SIRT2CYP3A4CA14
SCHEMBL3290841 0.88 CA14 (0.36) CA14TDP1MAOAMAOBCA1
SCHEMBL3287677 0.87 CAPN1 (0.33) DRD2CAPN1SIRT2MMP1MMP2
SCHEMBL3288380 0.87 TDP1 (0.46) CA14TDP1MAOAMAOBCA1
SCHEMBL3293190 0.86 CA14 (0.36) DRD2CAPN1CYP3A4CA14CHRM2
SCHEMBL6889555 0.85 CA14 (0.35) CA14TDP1MAOAMAOBCA1
SCHEMBL4523800 0.84 CAPN1 (0.36) CAPN1SIRT2
SCHEMBL3287420 0.83 CA1 (0.34) CA14TDP1MAOAMAOBCA1

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-7718157-B1 Targeted lipid particles BAKER TERENCE SEWARD 2010-05-18 US disclosed
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed
US-20060148761-A1 Lipids CELLTECH R & D LIMITED 2006-07-06 US disclosed
US-20040024220-A1 Lipids CELLTECH R & D LIMITED 2004-02-05 US disclosed
US-6583301-B1 Bipolar; form complexes with polyanions; delivering bioactive substances such as nucleic acids to cells in vitro and in vivo CELLTECH R & D LIMITED (GB) 2003-06-24 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-20040024220-A1 Lipids PHOSPHO1, FABP7, MBOAT7 DRD2 1573/4885CAPN1 4378/4885NOD1 4433/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 DRD2 1573/4885CAPN1 4378/4885NOD1 4433/4885

“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.