SCHEMBL3289322

SCHEMBL3289322

CC(N)CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCCCCC(CN(CCCC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(CCCCNC(=O)OC(C)(C)C)(CCCNC(=O)OC(C)(C)C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
DRD2 P14416 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
CAPN1 P07384 1/20 0.30
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30

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
SCHEMBL3293809 0.93 CYP3A4 (0.32) CYP3A4DRD2TDP1MAOAMAOB
SCHEMBL3289724 0.88 TDP1 (0.44) TDP1MAOAMAOBCA1CA2
SCHEMBL3295261 0.85
SCHEMBL4524349 0.85 DRD2 (0.32) CYP3A4DRD2TDP1
SCHEMBL3294068 0.84 SIRT2 (0.42) CYP3A4MEN1KMT2ACAPN1
SCHEMBL3290477 0.83 CA1 (0.33) TDP1CA1CA2MEN1GAA
SCHEMBL3293183 0.80 CA14 (0.35) CYP3A4DRD2TDP1MAOAMAOB
SCHEMBL4523624 0.75 TDP1 (0.35) TDP1MAOAMAOBCA1CA2
SCHEMBL3293190 0.74 CA14 (0.36) CYP3A4DRD2TDP1MAOAMAOB
SCHEMBL3289310 0.70 DRD2 (0.30) DRD2

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 7 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
EP-1070047-A2 LIPIDS Celltech Chiroscience Limited (GB) 2001-01-24 EP disclosed
WO-1999052858-A2 LIPIDS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-21 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-20040024220-A1 Lipids PHOSPHO1, FABP7, MBOAT7 CYP3A4 4867/4885DRD2 1573/4885TDP1 1253/4885
US-20060148761-A1 Lipids PHOSPHO1, FABP7, MBOAT7 CYP3A4 4867/4885DRD2 1573/4885TDP1 1253/4885

“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.