SCHEMBL10050595

SCHEMBL10050595

COOCc1ccc(C2(NC(=O)c3cc(F)cc4ccn(Cc5ccc(C(F)(F)F)cc5)c34)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 14/20 0.65
PTGDR Q13258 5/20 0.65
PTGER2 P43116 2/20 0.60
TBXA2R P21731 1/20 0.60
PTGER1 P34995 1/20 0.60
PTGFR P43088 1/20 0.60
PTGER3 P43115 1/20 0.60
PDE2A O00408 4/20 0.41
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL10050631 0.91 PTGER4 (0.68) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL2108724 0.89 PTGER4 (0.71) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL10050533 0.89 PTGER4 (0.76) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL10019023 0.86 PTGER4 (0.85) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL2109496 0.86 PTGER4 (0.84) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL10019038 0.85 PTGER4 (0.65) PTGER4PTGDRPTGER2TBXA2RPTGER1
Potassium Ion SCHEMBL2109494 0.85 PTGER4 (0.72) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL10050711 0.83 PTGER4 (0.80) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL25376489 0.81 PTGER4 (0.79) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL31610949 0.81 PTGER4 (0.69) PTGER4PTGDRPTGER2TBXA2RPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114877-B1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2012-12-26 EP disclosed
US-8158671-B2 Indole and indoline cyclopropyl amide derivatives as EP4 receptor antagonists MERCK CANADA INC. (CA) 2012-04-17 US disclosed
US-20090318518-A1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC. (CA) 2009-12-24 US disclosed
WO-2008104055-A1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2008-09-04 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-20090318518-A1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS PTGER4, PTGER1, PTGER3 PTGER4 1/4885PTGDR 10/4885PTGER2 4/4885

“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.