SCHEMBL3293189

SCHEMBL3293189

CCCC(NC(=O)OC(C)(C)C)N(CC(CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCC(C)N)CN(C(=O)OC(C)(C)C)C(CCC)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.39
DRD2 P14416 1/20 0.34
NOD1 Q9Y239 1/20 0.34
HDAC8 Q9BY41 4/20 0.33
CYP3A4 P08684 1/20 0.33
HDAC1 Q13547 1/20 0.33
CTSK P43235 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CTSS P25774 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
DNM1 Q05193 1/20 0.32
GLP1R P43220 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
SCHEMBL3293176 0.88 CAPN1 (0.36) CAPN1DRD2NOD1HDAC8CYP3A4
SCHEMBL3290851 0.81 CTSK (0.37) CTSKCA12CA1CA2CA14
SCHEMBL3288389 0.80 TDP1 (0.41) CTSKCA12CA1CA2CA14
SCHEMBL3289316 0.80 NOD1 (0.32) NOD1CA12CA1CA2CA14
SCHEMBL6889561 0.79 CA12 (0.37) CTSKCA12CA1CA2CA14
SCHEMBL3293178 0.76 DRD2 (0.35) CAPN1DRD2NOD1HDAC8CYP3A4
SCHEMBL3287429 0.75 CA12 (0.36) CTSKCA12CA1CA2CA14
SCHEMBL3293190 0.73 CA14 (0.36) CAPN1DRD2HDAC8CYP3A4HDAC1
SCHEMBL3293801 0.72 SLC6A5 (0.37) DRD2NOD1CA12CA1CA2
SCHEMBL13327229 0.71 CA14 (0.39) CAPN1DRD2CYP3A4CA12CA1

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 CAPN1 4378/4885DRD2 1573/4885NOD1 4433/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 CAPN1 4378/4885DRD2 1573/4885NOD1 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.