SCHEMBL12261069

SCHEMBL12261069

CC(O)C(N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.50
OPRM1 P35372 8/20 0.46
OPRK1 P41145 8/20 0.46
CXCR4 P61073 1/20 0.43
NTSR2 O95665 1/20 0.43
NTSR1 P30989 1/20 0.43
F2 P00734 1/20 0.43
NRP1 O14786 1/20 0.42
RAMP3 O60896 3/20 0.42
CALCR P30988 3/20 0.42
CAPN1 P07384 2/20 0.42

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
SCHEMBL12237919 1.00 GRB2 (0.50) GRB2OPRM1OPRK1CXCR4NTSR2
SCHEMBL13084631 1.00 GRB2 (0.50) GRB2OPRM1OPRK1CXCR4NTSR2
SCHEMBL12899266 1.00 GRB2 (0.50) GRB2OPRM1OPRK1CXCR4NTSR2
SCHEMBL14227389 1.00 GRB2 (0.50) GRB2OPRM1OPRK1CXCR4NTSR2
SCHEMBL1247795 0.97 OPRM1 (0.48) GRB2OPRM1OPRK1CXCR4NTSR2
SCHEMBL21043608 0.97 OPRM1 (0.48) GRB2OPRM1OPRK1CXCR4NTSR2
SCHEMBL1247799 0.97 OPRM1 (0.48) GRB2OPRM1OPRK1CXCR4NTSR2
SCHEMBL194515 0.97 OPRM1 (0.48) GRB2OPRM1OPRK1CXCR4NTSR2
SCHEMBL7263725 0.97 OPRM1 (0.48) GRB2OPRM1OPRK1CXCR4NTSR2
SCHEMBL12899263 0.97 OPRM1 (0.48) GRB2OPRM1OPRK1CXCR4NTSR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120315220-A1 Compounds for Targeting Endothelial Cells, Compositions Containing the Same and Methods for Their Use BRACCO SUISSE S.A. (CH) 2012-12-13 US disclosed
US-8263739-B2 also targeting tumor cells that express vascular endothelial growth factor neuropilin-1 receptor; radiotherapy; radiopharmaceuticals; treating angiogenesis BRACCO SUISSE SA (CH) 2012-09-11 US disclosed
US-20110262366-A1 COMPOUNDS FOR TARGETING ENDOTHELIAL CELLS, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR THEIR USE BRACCO INTERNATIONAL B.V. (NL) 2011-10-27 US disclosed
US-7884183-B2 also targeting tumor cells that express vascular endothelial growth factor neuropilin-1 receptor; radiotherapy; radiopharmaceuticals; treating angiogenesis BRACCO SUISSE SA (CH) 2011-02-08 US disclosed
US-7884183-B2 also targeting tumor cells that express vascular endothelial growth factor neuropilin-1 receptor; radiotherapy; radiopharmaceuticals; treating angiogenesis BRACCO SUISSE SA (CH) 2011-02-08 US disclosed
US-7820621-B2 Compounds for targeting endothelial cells, compositions containing the same and methods for their use BRACCO INTERNATIONAL B.V. (NL) 2010-10-26 US disclosed
US-7820621-B2 Compounds for targeting endothelial cells, compositions containing the same and methods for their use BRACCO INTERNATIONAL B.V. (NL) 2010-10-26 US disclosed
WO-2007090022-A2 NOVEL COMPOUNDS FOR TARGETING ENDOTHELIAL CELLS, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR THEIR USE BRACCO INTERNATIONAL B.V. (NL) 2007-08-09 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-20120315220-A1 Compounds for Targeting Endothelial Cells, Compositions Containing the Same and Methods for Their Use VCAM1, FLT1, EDNRA GRB2 756/4885OPRM1 1803/4885OPRK1 1592/4885
US-20110262366-A1 COMPOUNDS FOR TARGETING ENDOTHELIAL CELLS, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR THEIR USE VCAM1, FLT1, EDNRA GRB2 756/4885OPRM1 1803/4885OPRK1 1592/4885

“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.