Sugi Predict

Sugi Predict / Compounds / SCHEMBL13789902

SCHEMBL13789902

SCHEMBL13789902

CON=C1CC(CC(=O)OC)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 5/20 0.64
▸ AVPR1A P37288 3/20 0.64
▸ POLB P06746 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BCL2 P10415 1/20 0.37
▸ BAD Q92934 1/20 0.37

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
SCHEMBL8324017 1.00 OXTR (0.64) OXTRAVPR1APOLBGAAALDH1A1
SCHEMBL4416652 0.91 OXTR (0.67) OXTRAVPR1APOLBALDH1A1MEN1
SCHEMBL4416654 0.91 OXTR (0.67) OXTRAVPR1APOLBALDH1A1MEN1
SCHEMBL8314834 0.91 OXTR (0.67) OXTRAVPR1APOLBALDH1A1MEN1
SCHEMBL13789770 0.90 OXTR (0.61) OXTRAVPR1APOLBALDH1A1TRPV1
SCHEMBL4415819 0.90 OXTR (0.61) OXTRAVPR1APOLBALDH1A1TRPV1
SCHEMBL4415821 0.90 OXTR (0.61) OXTRAVPR1APOLBALDH1A1TRPV1
SCHEMBL13789776 0.89 OXTR (0.64) OXTRAVPR1APOLBALDH1A1MEN1
SCHEMBL4416684 0.89 OXTR (0.64) OXTRAVPR1APOLBALDH1A1MEN1
SCHEMBL4419417 0.89 OXTR (0.64) OXTRAVPR1APOLBALDH1A1MEN1

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
US-7557136-B2 Pyrrolidine derivatives as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2009-07-07 — — US 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
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 OXTR 1/4885AVPR1A 45/4885POLB 4056/4885

“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.