SCHEMBL18875321

SCHEMBL18875321

CN(C)CC1CCCN1CC(=O)NCCC(=O)NCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.45
CCR2 P41597 1/20 0.37
LTA4H P09960 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
F2R P25116 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
ECE1 P42892 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
DDR1 Q08345 2/20 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
SCHEMBL18875421 1.00 OPRD1 (0.45) OPRD1CCR2LTA4HMEN1KMT2A
SCHEMBL18875507 1.00 OPRD1 (0.45) OPRD1CCR2LTA4HMEN1KMT2A
SCHEMBL18875639 1.00 OPRD1 (0.45) OPRD1CCR2LTA4HMEN1KMT2A
SCHEMBL18875429 1.00 OPRD1 (0.45) OPRD1CCR2LTA4HMEN1KMT2A
SCHEMBL18875624 1.00 OPRD1 (0.45) OPRD1CCR2LTA4HMEN1KMT2A
SCHEMBL18875512 1.00 OPRD1 (0.45) OPRD1CCR2LTA4HMEN1KMT2A
SCHEMBL18875398 1.00 OPRD1 (0.45) OPRD1CCR2LTA4HMEN1KMT2A
SCHEMBL18875510 1.00 OPRD1 (0.45) OPRD1CCR2LTA4HMEN1KMT2A
SCHEMBL18875622 1.00 OPRD1 (0.45) OPRD1CCR2LTA4HMEN1KMT2A
SCHEMBL18875386 1.00 OPRD1 (0.45) OPRD1CCR2LTA4HMEN1KMT2A

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 OPRD1 1464/4885CCR2 940/4885LTA4H 1125/4885

“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.