SCHEMBL4429253

SCHEMBL4429253

CO/N=C1\C[C@@H](CCC(N)=O)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.61
AVPR1A P37288 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
FFAR2 O15552 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
HPGD P15428 1/20 0.34
ABCB1 P08183 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL13789778 1.00 OXTR (0.61) OXTRAVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL8321574 1.00 OXTR (0.61) OXTRAVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL4421839 1.00 OXTR (0.61) OXTRAVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL4418290 0.92 OXTR (0.63) OXTRAVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL8319369 0.92 OXTR (0.63) OXTRAVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL4418288 0.92 OXTR (0.63) OXTRAVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL13789768 0.92 OXTR (0.63) OXTRAVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL4416684 0.90 OXTR (0.64) OXTRAVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL13789776 0.90 OXTR (0.64) OXTRAVPR1ASMN1; SMN2MEN1KMT2A
SCHEMBL4419417 0.90 OXTR (0.64) OXTRAVPR1ASMN1; SMN2MEN1KMT2A

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 5 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 claimed
US-7557136-B2 Pyrrolidine derivatives as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2009-07-07 US claimed
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 claimed
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 OXTR 1/4885AVPR1A 45/4885SMN1; SMN2 1432/4885

“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.