SCHEMBL4420095

SCHEMBL4420095

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.35
NR1H2 P55055 1/20 0.33
SRC P12931 4/20 0.32
PPM1D O15297 1/20 0.31
HSD11B1 P28845 1/20 0.31
UCHL1 P09936 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL4421658 1.00 ABCB1 (0.35) ABCB1NR1H2SRCPPM1DHSD11B1
SCHEMBL9596446 1.00 ABCB1 (0.35) ABCB1NR1H2SRCPPM1DHSD11B1
SCHEMBL30752597 0.88 ABCB1 (0.34) ABCB1NR1H2
SCHEMBL9595062 0.88 NR1H2 (0.32) ABCB1NR1H2
SCHEMBL9567173 0.88 NR1H2 (0.37) ABCB1NR1H2SRCALDH1A1CHRM2
SCHEMBL8430093 0.87 NR1H2 (0.34) ABCB1NR1H2SRCALDH1A1CHRM2
SCHEMBL8429906 0.87 NR1H2 (0.34) ABCB1NR1H2SRCALDH1A1CHRM2
SCHEMBL17152840 0.87 NR1H2 (0.34) ABCB1NR1H2SRCHSD11B1ALDH1A1
SCHEMBL8107847 0.86 SRC (0.35) ABCB1NR1H2SRCALDH1A1
SCHEMBL2080032 0.86 SRC (0.35) ABCB1NR1H2SRCALDH1A1

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 ABCB1 3405/4885NR1H2 589/4885SRC 4430/4885

“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.