SCHEMBL4419397

SCHEMBL4419397

O=C(O)C[C@@H]1CC(=O)CN1C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 2/20 0.41
ITGB1 P05556 2/20 0.41
ITGA5 P08648 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RAB9A P51151 2/20 0.40
SLC6A7 Q99884 1/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
FASN P49327 1/20 0.40
ABCB1 P08183 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
FFAR1 O14842 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL8320159 1.00 HPGD (0.44) HPGDMAPK1POLBITGB1ITGA5
SCHEMBL4417850 0.89 OXTR (0.51) HPGDMAPK1POLBSMN1; SMN2OXTR
SCHEMBL301777 0.89 OXTR (0.51) HPGDMAPK1POLBSMN1; SMN2OXTR
SCHEMBL13789901 0.88 SMN1; SMN2 (0.43) HPGDMAPK1POLBSMN1; SMN2OXTR
SCHEMBL4422773 0.88 SMN1; SMN2 (0.43) HPGDMAPK1POLBSMN1; SMN2OXTR
SCHEMBL4418361 0.88 HPGD (0.43) HPGDMAPK1POLBSMN1; SMN2OXTR
SCHEMBL4418365 0.88 HPGD (0.43) HPGDMAPK1POLBSMN1; SMN2OXTR
SCHEMBL4414519 0.86 HPGD (0.42) HPGDMAPK1POLBSMN1; SMN2OXTR
SCHEMBL4414514 0.86 HPGD (0.42) HPGDMAPK1POLBSMN1; SMN2OXTR
SCHEMBL4419739 0.84 OXTR (0.45) HPGDMAPK1POLBSMN1; SMN2OXTR

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 HPGD 1451/4885MAPK1 2209/4885POLB 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.