SCHEMBL3985683

SCHEMBL3985683

O=C(O)c1cc(Cl)ccc1COc1ccc(F)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.53
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A3 Q92570 1/20 0.50
MRGPRX4 Q96LA9 4/20 0.48
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
SLC26A4 O43511 1/20 0.45
POLB P06746 1/20 0.45
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
S1PR1 P21453 2/20 0.44
S1PR5 Q9H228 2/20 0.44
LTK P29376 1/20 0.44
TAOK1 Q7L7X3 1/20 0.44
HPD P32754 1/20 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
SCHEMBL3977944 0.87 NR4A2 (0.58) NR4A2MAOBNR4A1NR4A3MRGPRX4
SCHEMBL3980330 0.87 NR4A2 (0.64) NR4A2NR4A1NR4A3MRGPRX4FABP3
SCHEMBL3980740 0.86 NR4A2 (0.52) NR4A2NR4A1NR4A3MRGPRX4FABP3
SCHEMBL3980045 0.85 MAOB (0.50) NR4A2MAOBMAOANR4A1NR4A3
SCHEMBL3981031 0.85 NR4A2 (0.59) NR4A2NR4A1NR4A3MRGPRX4FABP3
SCHEMBL3981899 0.83 NR4A2 (0.63) NR4A2MAOBMAOANR4A1NR4A3
SCHEMBL11574914 0.82 MRGPRX4 (0.59) NR4A2NR4A1NR4A3MRGPRX4FABP3
SCHEMBL3983063 0.82 NR4A2 (0.58) NR4A2NR4A1NR4A3MRGPRX4FABP3
SCHEMBL15936021 0.81 NR4A2 (0.54) NR4A2MAOBMAOANR4A1NR4A3
SCHEMBL3981141 0.81 FABP3 (0.57) NR4A2NR4A1NR4A3MRGPRX4FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756042-B1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2014-02-12 EP disclosed
US-8084476-B2 Substituted methyl aryl or heteroaryl amide compounds RAQUALIA PHARMA INC. (JP) 2011-12-27 US disclosed
US-20090163558-A1 Substituted Methyl Aryl or Heteroaryl Amide Compounds RAQUALIA PHARMA INC. (JP) 2009-06-25 US disclosed
US-7534914-B2 Substituted methyl aryl or heteroaryl amide compounds REQUALIA PHARMA INC. (JP) 2009-05-19 US disclosed
WO-2005102389-A9 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2009-04-30 WO disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
EP-1756042-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS Pfizer, Inc. (US) 2007-02-28 EP disclosed
EP-1740211-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2007-01-10 EP disclosed
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PFIZER INC 2005-12-01 US disclosed
WO-2005105732-A1 SUBSTITUTED METHYL ARYL OR HETEROARYL AMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2005-11-10 WO disclosed
WO-2005102389-A2 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS AND EP4 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-03 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 (3 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-20090163558-A1 Substituted Methyl Aryl or Heteroaryl Amide Compounds PTGER1, PTGER2, PTGER3 NR4A2 1009/4885MAOB 1758/4885MAOA 1266/4885
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PTGER1, PTGER2, PTGER3 NR4A2 1009/4885MAOB 1758/4885MAOA 1266/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 NR4A2 235/4885MAOB 3879/4885MAOA 3893/4885

“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.