SCHEMBL4418290

SCHEMBL4418290

CON=C1C[C@@H](CCC(=O)O)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.63
AVPR1A P37288 3/20 0.63
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 3/20 0.37
FFAR1 O14842 1/20 0.37
CYP1A2 P05177 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
FFAR2 O15552 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.36
ABCB1 P08183 2/20 0.36
TSHR P16473 1/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL4418288 1.00 OXTR (0.63) OXTRAVPR1AMEN1KMT2APOLB
SCHEMBL8319369 1.00 OXTR (0.63) OXTRAVPR1AMEN1KMT2APOLB
SCHEMBL13789768 1.00 OXTR (0.63) OXTRAVPR1AMEN1KMT2APOLB
SCHEMBL4415821 0.92 OXTR (0.61) OXTRAVPR1AMEN1KMT2APOLB
SCHEMBL4421839 0.92 OXTR (0.61) OXTRAVPR1AMEN1KMT2APOLB
SCHEMBL13789778 0.92 OXTR (0.61) OXTRAVPR1AMEN1KMT2APOLB
SCHEMBL8321574 0.92 OXTR (0.61) OXTRAVPR1AMEN1KMT2APOLB
SCHEMBL13789770 0.92 OXTR (0.61) OXTRAVPR1AMEN1KMT2APOLB
SCHEMBL4415819 0.92 OXTR (0.61) OXTRAVPR1AMEN1KMT2APOLB
SCHEMBL4429253 0.92 OXTR (0.61) OXTRAVPR1AMEN1KMT2APOLB

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 6 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
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
EP-1597229-A2 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2005-11-23 EP disclosed
WO-2004076407-A2 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2004-09-10 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-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 45/4885MEN1 3948/4885

“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.