SCHEMBL4472888

SCHEMBL4472888

O=C1CCN(CC(=O)N2CCOCC2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 3/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 5/20 0.49
LMNA P02545 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
TP53 P04637 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43

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
SCHEMBL26981196 0.78 HSD17B10 (0.91) TSHRALOX15HSD17B10SMN1; SMN2GAA
SCHEMBL8917332 0.76 ALOX15 (0.53) TSHRALOX15HSD17B10SMN1; SMN2GAA
SCHEMBL23507546 0.74 HSD17B10 (0.77) TSHRALOX15HSD17B10SMN1; SMN2GAA
SCHEMBL30920967 0.74 HSD17B10 (0.77) TSHRALOX15HSD17B10SMN1; SMN2GAA
SCHEMBL31717947 0.74 HSD17B10 (1.00) TSHRALOX15HSD17B10SMN1; SMN2GAA
SCHEMBL11922747 0.73 HSD17B10 (0.74) TSHRALOX15HSD17B10SMN1; SMN2GAA
SCHEMBL16050263 0.72 HSD17B10 (0.42) TSHRHSD17B10POLBKDM4EALDH1A1
SCHEMBL8916285 0.72 ALOX15 (0.51) TSHRALOX15HSD17B10SMN1; SMN2GAA
SCHEMBL9851172 0.71 TSHR (0.58) TSHRALOX15HSD17B10SMN1; SMN2GAA
SCHEMBL18911149 0.71 ALOX15 (0.54) TSHRALOX15HSD17B10SMN1; SMN2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 443/4885ALOX15 364/4885HSD17B10 1798/4885

“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.