SCHEMBL4422772

SCHEMBL4422772

CON=C1C[C@@H](CC(=O)N2CCOCC2)N(C(=O)c2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXTR P30559 5/20 0.57
AVPR1A P37288 3/20 0.57
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.43
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 1/20 0.40
HPGD P15428 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4422768 1.00 OXTR (0.57) OXTRAVPR1AMAPTALDH1A1FAAH
SCHEMBL4430007 0.92 OXTR (0.55) OXTRAVPR1AMAPTALDH1A1FAAH
SCHEMBL1383944 0.92 OXTR (0.55) OXTRAVPR1AMAPTALDH1A1FAAH
SCHEMBL1383941 0.92 OXTR (0.55) OXTRAVPR1AMAPTALDH1A1FAAH
SCHEMBL4416652 0.85 OXTR (0.67) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL4416654 0.85 OXTR (0.67) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL8314834 0.85 OXTR (0.67) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL13789902 0.83 OXTR (0.64) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL4416684 0.83 OXTR (0.64) OXTRAVPR1AMAPTALDH1A1KMT2A
SCHEMBL4419585 0.83 MAPT (0.51) MAPTALDH1A1FAAHMGLLNCOA3

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
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
EP-1597229-B1 PYRROLIDINE DERIVATIVES AS OXYTOCIN ANTAGONISTS MERCK SERONO SA (CH) 2009-11-18 EP 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 45/4885MAPT 4879/4885

“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.