SCHEMBL18878694

SCHEMBL18878694

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

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
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
MCL1 Q07820 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL27000303 0.83 FDPS (0.36) MCL1FDPSLMNA
SCHEMBL19570405 0.81 MCL1 (0.31) MCL1LMNAHDAC1HDAC6
SCHEMBL24926358 0.78 POLB (0.42) LMNA
SCHEMBL868741 0.75 ADRA2A (0.39) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL27294800 0.75 ALDH1A1 (0.36) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL3563819 0.74 TSHR (0.39) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL4346261 0.73 FDPS (0.34) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL19361696 0.73 FDPS (0.34) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL13140797 0.73 POLB (0.35) CHRNB2CHRNA4MCL1LMNAHDAC1
SCHEMBL14336264 0.73 MCL1 (0.34) CHRNB2CHRNA4MCL1LMNAHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170146549-A1 ISOBARIC MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-05-25 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 (1 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-20170146549-A1 ISOBARIC MASS LABELS SRMS, PTMS, QPCTL CHRNB2 2955/4885CHRNA4 3662/4885PGR 3754/4885

“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.