SCHEMBL6103441

SCHEMBL6103441

CC(=O)OCC1CCN(c2ccc(Br)cc2C=O)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.36
ERN1 O75460 1/20 0.35
RBP4 P02753 3/20 0.34
TTR P02766 1/20 0.34
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
DRD3 P35462 2/20 0.33
ALDH1A1 P00352 2/20 0.33
ACHE P22303 1/20 0.33
HTR4 Q13639 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL6104233 0.89 OPRK1 (0.38) OPRK1RBP4TTRDRD2DRD4
SCHEMBL6104227 0.89 OPRK1 (0.38) OPRK1RBP4TTRDRD2DRD4
SCHEMBL6104216 0.83 OPRK1 (0.46) OPRK1PTGDR2ALDH1A1KDM4EMEN1
SCHEMBL6102012 0.82 ERN1 (0.41) OPRK1PTGDR2ERN1ALDH1A1
SCHEMBL6104015 0.81 OPRK1 (0.52) OPRK1
SCHEMBL6104500 0.80 SMPD3 (0.40) OPRK1PTGDR2ERN1
SCHEMBL6103200 0.78 SMN1; SMN2 (0.44) OPRK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6104617 0.77 CDC7 (0.38) OPRK1PTGDR2ERN1ALDH1A1
SCHEMBL6103116 0.77 OPRK1 (0.43) OPRK1ALDH1A1KDM4EMEN1TSHR
SCHEMBL6103119 0.77 OPRK1 (0.43) OPRK1ALDH1A1KDM4EMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160864-A1 Acrylamide derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-20 US disclosed
EP-1593673-A1 ACRYLAMIDE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP 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-20060160864-A1 Acrylamide derivative, process for producing the same, and use CCR5, MSR1, CCR2 OPRK1 980/4885PTGDR2 1264/4885ERN1 1319/4885

“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.