SCHEMBL14728217

SCHEMBL14728217

C=C(O)CN1CCN(CC(C)=O)CCNCCN(CC(C)=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.45
CHRM3 P20309 2/20 0.45
SIGMAR1 Q99720 6/20 0.41
EGFR P00533 1/20 0.36
ALDH1A1 P00352 1/20 0.33
STAT6 P42226 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 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
SCHEMBL13742551 0.89 CHRM5 (0.53) CHRM5CHRM3SIGMAR1SMN1; SMN2KMT2A
SCHEMBL24247411 0.87 CHRM5 (0.55) CHRM5CHRM3SIGMAR1SMN1; SMN2KMT2A
SCHEMBL8038 0.87 CHRM5 (0.55) CHRM5CHRM3SIGMAR1SMN1; SMN2KMT2A
SCHEMBL8156231 0.87 SMN1; SMN2 (0.42) CHRM5CHRM3SIGMAR1EGFRALDH1A1
SCHEMBL27404930 0.85 CHRM5 (0.47) CHRM5CHRM3SIGMAR1KMT2AMEN1
SCHEMBL13525120 0.85 CHRM5 (0.47) CHRM5CHRM3SIGMAR1KMT2AMEN1
SCHEMBL29299504 0.85 CHRM5 (0.47) CHRM5CHRM3SIGMAR1KMT2AMEN1
Hydrochloric Acid SCHEMBL3925566 0.85 CHRM5 (0.53) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL11854218 0.84 CHRM5 (0.42) CHRM5CHRM3SIGMAR1EGFRALDH1A1
SCHEMBL8524847 0.84 CHRM5 (0.42) CHRM5CHRM3SIGMAR1EGFRALDH1A1

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-20130052130-A1 Branched Discreet PEG Constructs UNIVERSITY OF WASHINGTON (US) 2013-02-28 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-20130052130-A1 Branched Discreet PEG Constructs BTD, DNPEP, IDUA CHRM5 4671/4885CHRM3 4313/4885SIGMAR1 2810/4885

“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.