SCHEMBL4422773

SCHEMBL4422773

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 2/20 0.43
FFAR1 O14842 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
HIF1A Q16665 1/20 0.43
HPGD P15428 2/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.39
OXTR P30559 2/20 0.39
AVPR1A P37288 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SLC6A7 Q99884 1/20 0.38
TSHR P16473 2/20 0.38
FASN P49327 1/20 0.38
ABCB1 P08183 1/20 0.38
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL13789901 1.00 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AFFAR1LMNACYP1A2
SCHEMBL4414514 0.88 HPGD (0.42) SMN1; SMN2RAB9ALMNAHPGDMAPK1
SCHEMBL4414519 0.88 HPGD (0.42) SMN1; SMN2RAB9ALMNAHPGDMAPK1
SCHEMBL4419397 0.88 HPGD (0.44) SMN1; SMN2RAB9AFFAR1LMNACYP1A2
SCHEMBL8320159 0.88 HPGD (0.44) SMN1; SMN2RAB9AFFAR1LMNACYP1A2
SCHEMBL301777 0.85 OXTR (0.51) SMN1; SMN2RAB9ALMNAHPGDMAPK1
SCHEMBL4417850 0.85 OXTR (0.51) SMN1; SMN2RAB9ALMNAHPGDMAPK1
SCHEMBL4418365 0.84 HPGD (0.43) SMN1; SMN2RAB9ALMNAHPGDMAPK1
SCHEMBL4418361 0.84 HPGD (0.43) SMN1; SMN2RAB9ALMNAHPGDMAPK1
SCHEMBL4416740 0.83 MAPT (0.48) SMN1; SMN2RAB9ALMNAHPGDPOLB

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 SMN1; SMN2 1432/4885RAB9A 3674/4885FFAR1 788/4885

“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.