SCHEMBL10019019

SCHEMBL10019019

O=C(O)c1ccc(C2(NC(=O)c3cccc4ccn(Cc5ccccc5)c34)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 17/20 0.81
PTGDR Q13258 8/20 0.81
PTGER2 P43116 2/20 0.81
TBXA2R P21731 1/20 0.81
PTGER1 P34995 1/20 0.81
PTGFR P43088 1/20 0.81
PTGER3 P43115 1/20 0.81
KLKB1 P03952 1/20 0.40
KLK1 P06870 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
CXCR3 P49682 1/20 0.39

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
SCHEMBL10019030 0.90 PTGER4 (0.68) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL10019022 0.90 PTGER4 (0.67) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL2109484 0.90 PTGER4 (1.00) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL29517904 0.90 PTGER4 (1.00) PTGER4PTGDRPTGER2TBXA2RPTGER1
Diethylamine SCHEMBL2110430 0.85 PTGER4 (0.90) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL2110525 0.80 PTGER4 (0.82) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL10019024 0.80 PTGER4 (0.76) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL14312286 0.79 PTGER4 (0.75) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL30553059 0.79 PTGER4 (0.70) PTGER4PTGDRPTGER2TBXA2RPTGER1
SCHEMBL31366898 0.79 PTGER4 (0.80) 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 3 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

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.