SCHEMBL1748620

SCHEMBL1748620

COC(=O)c1cccc2ccn(Cc3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 5/20 0.62
PTGDR Q13258 5/20 0.62
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ATM Q13315 1/20 0.53
PTGER3 P43115 3/20 0.49
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGER1 P34995 1/20 0.46
PTGFR P43088 1/20 0.46
PTGER2 P43116 1/20 0.46
DRD4 P21917 1/20 0.44
KCNN4 O15554 1/20 0.43
HTT P42858 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
SCHEMBL2111692 0.89 PTGER4 (0.61) PTGER4PTGDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL29406596 0.89 PTGER4 (0.61) PTGER4PTGDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL15687371 0.88 PTGER4 (0.52) PTGER4PTGDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL12000764 0.86 PTGER4 (0.66) PTGER4PTGDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL1748943 0.83 PTGER4 (0.84) PTGER4PTGDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL10019032 0.83 PTGER4 (0.49) PTGER4PTGDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL12584015 0.82 PTGER4 (0.47) PTGER4PTGDRMAPTPTGER2
SCHEMBL1137560 0.81 PTGER4 (0.47) PTGER4PTGDRPTGER3KMT2AMAPT
SCHEMBL30364769 0.81 PTGER4 (0.56) PTGER4PTGDRKDM4EALDH1A1SMN1; SMN2
SCHEMBL28942951 0.81 PTGER4 (0.56) PTGER4PTGDRKDM4EALDH1A1SMN1; SMN2

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-2013169-B1 INDOLE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2012-08-22 EP disclosed
EP-2013169-B1 INDOLE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2012-08-22 EP disclosed
US-7968578-B2 Indole amide derivatives as EP4 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2011-06-28 US disclosed
US-7968578-B2 Indole amide derivatives as EP4 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2011-06-28 US disclosed
US-7968578-B2 Indole amide derivatives as EP4 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2011-06-28 US disclosed
US-20090253756-A1 Indole Amide Derivatives as EP4 Receptor Antagonists MERCK CANADA INC. (CA) 2009-10-08 US disclosed
US-20090253756-A1 Indole Amide Derivatives as EP4 Receptor Antagonists MERCK CANADA INC. (CA) 2009-10-08 US disclosed
US-20090253756-A1 Indole Amide Derivatives as EP4 Receptor Antagonists MERCK CANADA INC. (CA) 2009-10-08 US disclosed
EP-2013169-A1 INDOLE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2009-01-14 EP disclosed
WO-2007121578-A1 INDOLE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2007-11-01 WO disclosed
WO-2007121578-A1 INDOLE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2007-11-01 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 (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-20090253756-A1 Indole Amide Derivatives as EP4 Receptor Antagonists PTGER4, PTGER1, PTGER2 PTGER4 1/4885PTGDR 8/4885KDM4E 688/4885

“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.