SCHEMBL4640204

SCHEMBL4640204

COC(=O)[C@H]1COCC[C@@H](OC)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.34
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 1/20 0.32
KAT2B Q92831 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
BRD4 O60885 1/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
CCNA2 P20248 1/20 0.30

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
SCHEMBL4640210 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4641127 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4640207 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL4641123 1.00 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3465858 0.84 DPP4 (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL3465856 0.84 DPP4 (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL3465860 0.84 DPP4 (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL3465889 0.84 DPP4 (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL3465890 0.84 DPP4 (0.32) PDE4APDE4BPDE4CPDE4D
SCHEMBL4640302 0.84 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1958666-A1 Heterocyclic-substituted alkanamides as therapeutic compounds Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors NOVARTIS AG (CH) 2008-07-24 US disclosed
EP-1856032-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-11-21 EP disclosed
WO-2006095020-A1 HETEROCYCLIC-SUBSTITUTED ALKANAMIDES USEFUL AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-09-14 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 (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-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors REN, ACE, AGTR1 CHRNB2 1779/4885CHRNA4 2511/4885CHRNB4 2344/4885

“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.