SCHEMBL4416941

SCHEMBL4416941

O=C(O)CC[C@@H]1C[C@@H](O)CN1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
QARS1 P47897 1/20 0.34
GLB1 P16278 1/20 0.33
ALOX5 P09917 1/20 0.31
LMNA P02545 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
EGLN1 Q9GZT9 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
SCHEMBL4420955 1.00 QARS1 (0.34) QARS1GLB1ALOX5LMNAALKBH5
SCHEMBL13789828 1.00 QARS1 (0.34) QARS1GLB1ALOX5LMNAALKBH5
SCHEMBL13789766 1.00 QARS1 (0.34) QARS1GLB1ALOX5LMNAALKBH5
SCHEMBL10369813 0.89 ALOX5 (0.40) QARS1GLB1ALOX5LMNA
SCHEMBL24441279 0.89 ALOX5 (0.40) QARS1GLB1ALOX5LMNA
SCHEMBL8512062 0.79 ITGB3 (0.42) LMNA
SCHEMBL13789896 0.79 ITGB3 (0.42) LMNA
SCHEMBL31202 0.79 ITGB3 (0.42) LMNA
SCHEMBL8513040 0.79 ITGB3 (0.42) LMNA
SCHEMBL28246779 0.78

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-1597229-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-11-18 EP disclosed
US-7557136-B2 Pyrrolidine derivatives as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2009-07-07 US disclosed
US-20070037806-A1 Such as (3EZ,5S)-5-(hydroxymethyl)-1-[(2'-methyl-1,1'-biphenyl-4-yl)carbonyl]pyrrolidin-3-one O-methyloxime which blocks oxytocin receptors; for prevention and/or treatment of preterm labor, premature birth or dysmenorrhea APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-02-15 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-20070037806-A1 Such as (3EZ,5S)-5-(hydroxymethyl)-1-[(2'-methyl-1,1'-biphenyl-4-yl)carbonyl]pyrrolidin-3-one O-methyloxime which blocks oxytocin receptors; for prevention and/or treatment of preterm labor, premature birth or dysmenorrhea OXTR, PRLHR, OPRL1 QARS1 2985/4885GLB1 3358/4885ALOX5 348/4885

“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.