SCHEMBL4012174

SCHEMBL4012174

O=C(O)c1cc(Cl)cnc1OCc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.50
PTGER1 P34995 1/20 0.47
MRGPRX4 Q96LA9 5/20 0.47
XDH P47989 1/20 0.46
RHEB Q15382 2/20 0.46
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ALKBH1 Q13686 1/20 0.44
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC6A4 P31645 1/20 0.43
PTGER4 P35408 1/20 0.43
PTGER2 P43116 1/20 0.43
CNR1 P21554 1/20 0.43
LRRK2 Q5S007 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
SCHEMBL4014183 0.86 PTGER4 (0.44) PTGER1MRGPRX4RHEBMAPK1L3MBTL1
SCHEMBL4012447 0.79 MCL1 (0.52) NR4A2MRGPRX4MAOAMAOBALKBH1
SCHEMBL11463145 0.78 KMT2A (0.49) MAPK1L3MBTL1PTGER4PTGER2
SCHEMBL30990046 0.78 KMT2A (0.49) MAPK1L3MBTL1PTGER4PTGER2
SCHEMBL4020114 0.78 PTGER4 (0.53) PTGER1MRGPRX4SLC6A4PTGER4PTGER2
SCHEMBL1284749 0.78 PTGER4 (0.75) PTGER4PTGER2
SCHEMBL691764 0.78 PTGER4 (0.61) PTGER1MAPK1PTGER4PTGER2
SCHEMBL11452714 0.76 CYP1A2 (0.45) L3MBTL1PTGER4PTGER2
SCHEMBL11551863 0.75 PTGER1 (0.43) PTGER1XDHPTGER4PTGER2
SCHEMBL6725152 0.75 MRGPRX4 (0.55) NR4A2PTGER1MRGPRX4RHEBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756043-B1 ORTHO SUBSTITUTED ARYL OR HETEROARYL AMIDE COMPOUNDS RAQUALIA PHARMA INC (JP) 2009-07-01 EP 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-1756043-A1 ORTHO SUBSTITUTED 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-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds PFIZER INC 2005-11-10 US disclosed
WO-2005105733-A1 ORTHO SUBSTITUTED 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 (2 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-20050250818-A1 Ortho substituted aryl or heteroaryl amide compounds OPRL1, PTGER1, OPRM1 NR4A2 622/4885PTGER1 2/4885MRGPRX4 105/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 NR4A2 235/4885PTGER1 5/4885MRGPRX4 89/4885

“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.