SCHEMBL4246046

SCHEMBL4246046

CC1(C)CN(C(=O)O)C[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12491777 1.00 SMN1; SMN2 (0.38) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL27970472 0.79 SMN1; SMN2 (0.35) SMN1; SMN2GAAL3MBTL1
SCHEMBL19617537 0.79 SMN1; SMN2 (0.35) SMN1; SMN2GAAL3MBTL1
SCHEMBL12492566 0.77 SMN1; SMN2 (0.32) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL26131756 0.77 SMN1; SMN2 (0.32) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL15719047 0.74 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27143501 0.74 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27191329 0.74 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL17081079 0.74 NR1H2 (0.44) SMN1; SMN2
SCHEMBL17499914 0.74 NR1H2 (0.44) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 US disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 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 (2 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-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS SMN1; SMN2 3860/4885CHRNB2 4875/4885CHRNA3 4870/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 SMN1; SMN2 3262/4885CHRNB2 4880/4885CHRNA3 4872/4885

“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.