SCHEMBL8056199

SCHEMBL8056199

CCN(CC)CCN(CCN(CC)CC)C(C)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
CHRM5 P08912 2/20 0.35
PAOX Q6QHF9 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PGR P06401 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SCN5A Q14524 1/20 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
SCHEMBL10140934 0.79 FDPS (0.43) ALDH1A1PGRADRA2AADRA2BHTR2A
SCHEMBL13338011 0.79 FDPS (0.43) ALDH1A1PGRADRA2AADRA2BHTR2A
SCHEMBL10141693 0.79 FDPS (0.43) ALDH1A1PGRADRA2AADRA2BHTR2A
SCHEMBL8221317 0.79 PGR (0.47) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL890220 0.79 PGR (0.47) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL8919464 0.79 PGR (0.47) CHRM2CHRM4CHRM1CHRM3CHRM5
SCHEMBL890098 0.76 FDPS (0.40) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL890095 0.76 FDPS (0.40) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8056950 0.74 PAOX (0.32) PAOXALDH1A1
Acetic Acid SCHEMBL11511846 0.73 FFAR3 (0.44) CHRM2CHRM4CHRM1CHRM3CHRM5

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-7927581-B2 For magnetic resonance imaging (MRI); peptide modified at its N- and its C-termini, independently, with a moiety comprising a metal chelate complex; specific binding affinity for fibrin; sufficient half-life in vivo Factor 1A, LLC (US) 2011-04-19 US disclosed
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents EPIX PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-7238341-B2 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 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 (3 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-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA CHRM2 4476/4885CHRM4 4197/4885CHRM1 4486/4885
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents NGLY1, IAPP, NPPA CHRM2 4476/4885CHRM4 4197/4885CHRM1 4486/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA CHRM2 4476/4885CHRM4 4197/4885CHRM1 4486/4885

“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.