SCHEMBL1189345

SCHEMBL1189345

CN(C)C1CN(C(=O)OCc2ccccc2)CC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
RORC P51449 2/20 0.48
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR2C P28335 2/20 0.45
HTT P42858 1/20 0.43
CTSK P43235 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GRIN2B Q13224 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
HRH2 P25021 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL20520922 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL34474162 0.86 SMN1; SMN2 (0.48) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL1189001 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL12683506 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL31085663 0.83 MEN1 (0.49) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL12492571 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL13769237 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL12167420 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL1189044 0.83 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ARORCCYP2C19
SCHEMBL21193478 0.81 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ARORCCYP2C19

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 8 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
CN-101917981-B Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2012-11-14 CN disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
CN-101917981-A Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2010-12-15 CN disclosed
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 EP disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 US disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 WO 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 3860/4885NPC1 3081/4885RAB9A 2907/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 SMN1; SMN2 3262/4885NPC1 2880/4885RAB9A 2173/4885

“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.