SCHEMBL3979385

SCHEMBL3979385

COC(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)ccc2COCC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.47
PTGER2 P43116 3/20 0.46
GPR139 Q6DWJ6 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
PTGDR Q13258 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
SCHEMBL27661880 0.91 PTGER4 (0.57) PTGER4PTGER2PTGDR
SCHEMBL3987711 0.91 PTGER4 (0.57) PTGER4PTGER2PTGDR
SCHEMBL3980797 0.88 PTGER4 (0.46) PTGER4PTGER2GPR139MEN1KMT2A
SCHEMBL3981865 0.85 PTGER4 (0.52) PTGER4PTGER2ALDH1A1KDM4ETAS1R3
SCHEMBL3980731 0.84 PTGER4 (0.43) PTGER4PTGER2GPR139MEN1KMT2A
SCHEMBL4012113 0.83 PTGER4 (0.55) PTGER4PTGER2GPR139MEN1KMT2A
SCHEMBL3980141 0.83 PTGER4 (0.58) PTGER4PTGER2
SCHEMBL3980893 0.83 PTGER4 (0.48) PTGER4PTGER2ALDH1A1KDM4ETAS1R3
SCHEMBL3978474 0.83 PTGER4 (0.52) PTGER4PTGER2MEN1KMT2AALDH1A1
SCHEMBL3982974 0.82 PTGER4 (0.59) PTGER4PTGER2MEN1KMT2AALDH1A1

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 12 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
CN-1950333-A Substituted methyl aryl or heteroaryl amide compounds PFIZER (US) 2007-04-18 CN 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 PTGER4 14/4885PTGER2 2/4885GPR139 481/4885
US-20050267170-A1 Substituted methyl aryl or heteroaryl amide compounds PTGER1, PTGER2, PTGER3 PTGER4 14/4885PTGER2 2/4885GPR139 481/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 PTGER4 1/4885PTGER2 2/4885GPR139 208/4885

“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.