SCHEMBL6103100

SCHEMBL6103100

O=Cc1cc(Br)cnc1N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.54
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
PRNP P04156 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL2213799 0.98 OPRK1 (0.56) OPRK1ALDH1A1HTTMAPK1LMNA
SCHEMBL27159916 0.86 OPRK1 (0.48) OPRK1ALDH1A1MAPK1LMNAMAPT
SCHEMBL21170840 0.82 OPRK1 (0.69) OPRK1ALDH1A1HTTMAPK1LMNA
SCHEMBL16944616 0.81 OPRK1 (0.78) OPRK1
SCHEMBL13010703 0.80 HTT (0.50) OPRK1SMN1; SMN2HTTMAPK1LMNA
SCHEMBL6103809 0.80 OPRK1 (0.51) OPRK1
SCHEMBL6104537 0.78 OPRK1 (0.58) OPRK1
SCHEMBL2213986 0.77 OPRK1 (0.49) OPRK1ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL18994652 0.77 OPRK1 (0.57) OPRK1
SCHEMBL14470632 0.76 SCN10A (0.48) ALDH1A1SMN1; SMN2LMNAMAPTNPSR1

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 980/4885ALDH1A1 1414/4885SMN1; SMN2 2871/4885

“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.