SCHEMBL6103200

SCHEMBL6103200

COC(=O)C1CCN(c2ccc(Br)cc2C=O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NOTUM Q6P988 3/20 0.40
HSD11B1 P28845 1/20 0.39
OPRK1 P41145 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
ATM Q13315 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL6104155 0.82 MAPT (0.40) SMN1; SMN2ALDH1A1HTTMAPTMEN1
SCHEMBL6104166 0.82 MAPT (0.40) SMN1; SMN2ALDH1A1HTTMAPTMEN1
SCHEMBL19386350 0.81 MAPT (0.48) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL6104617 0.80 CDC7 (0.38) ALDH1A1MAPTOPRK1
SCHEMBL6104500 0.78 SMPD3 (0.40) OPRK1
SCHEMBL6103441 0.78 OPRK1 (0.39) ALDH1A1MEN1KMT2AOPRK1KDM4E
SCHEMBL6103929 0.78 ERN1 (0.44) SMN1; SMN2ALDH1A1HTTMAPTMEN1
SCHEMBL6103096 0.78 ERN1 (0.40) SMN1; SMN2ALDH1A1HTTMAPTOPRK1
SCHEMBL18064818 0.77 MAPT (0.47) SMN1; SMN2MAPTNOTUMHSD11B1LMNA
SCHEMBL23119683 0.76 MAPT (0.53) SMN1; SMN2ALDH1A1HTTMAPTMEN1

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 SMN1; SMN2 2871/4885ALDH1A1 1414/4885HTT 3373/4885

“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.