SCHEMBL2111692

SCHEMBL2111692

COC(=O)c1cccc2ccn(Cc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.61
PTGDR Q13258 7/20 0.61
PTGER3 P43115 2/20 0.57
TBXA2R P21731 1/20 0.57
PTGER1 P34995 1/20 0.57
PTGFR P43088 1/20 0.57
PTGER2 P43116 1/20 0.57
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 4/20 0.48
KCNQ3 O43525 2/20 0.45
KCNQ2 O43526 2/20 0.45
KCNQ4 P56696 2/20 0.45
KCNQ5 Q9NR82 2/20 0.45
DRD4 P21917 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41

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
SCHEMBL29406596 1.00 PTGER4 (0.61) PTGER4PTGDRPTGER3TBXA2RPTGER1
SCHEMBL1748620 0.89 PTGER4 (0.62) PTGER4PTGDRPTGER3TBXA2RPTGER1
SCHEMBL20541745 0.89 PTGER4 (0.49) PTGER4PTGDRPTGER3TBXA2RPTGER1
SCHEMBL30697463 0.89 PTGER4 (0.49) PTGER4PTGDRPTGER3TBXA2RPTGER1
SCHEMBL21481817 0.87 PTGER4 (0.52) PTGER4PTGDRPTGER3TBXA2RPTGER1
SCHEMBL1271452 0.85 PTGER4 (0.48) PTGER4PTGDRPTGER3TBXA2RPTGER1
SCHEMBL29518220 0.85 PTGER4 (0.65) PTGER4PTGDRPTGER3TBXA2RPTGER1
SCHEMBL2111125 0.85 PTGER4 (0.65) PTGER4PTGDRPTGER3TBXA2RPTGER1
SCHEMBL10019032 0.85 PTGER4 (0.49) PTGER4PTGDRPTGER3TBXA2RPTGER1
SCHEMBL3794815 0.85 PTGER4 (0.58) PTGER4PTGDRPTGER3TBXA2RPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111989311-B Compound for inhibiting PGE2/EP4 signal transduction, preparation method thereof and application thereof in medicines 凯复(苏州)生物医药有限公司 2022-03-22 CN disclosed
EP-3889134-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2021-10-06 EP disclosed
CN-111989311-A Compound for inhibiting PGE2/EP4 signal transduction, preparation method thereof and application thereof in medicines 凯复(苏州)生物医药有限公司 2020-11-24 CN disclosed
WO-2020151566-A1 COMPOUND FOR INHIBITING PGE2/EP4 SIGNALING TRANSDUCTION INHIBITING, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF 凯复制药有限公司 2020-07-30 WO disclosed
EP-2114877-B1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2012-12-26 EP disclosed
EP-2114877-B1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2012-12-26 EP disclosed
CN-101622230-B Indole and indoline cyclopropyl amide derivatives as ep4 receptor antagonists MERCK FROSST CANADA LTD CA 2012-08-22 CN disclosed
US-8158671-B2 Indole and indoline cyclopropyl amide derivatives as EP4 receptor antagonists MERCK CANADA INC. (CA) 2012-04-17 US disclosed
US-8158671-B2 Indole and indoline cyclopropyl amide derivatives as EP4 receptor antagonists MERCK CANADA INC. (CA) 2012-04-17 US disclosed
US-8158671-B2 Indole and indoline cyclopropyl amide derivatives as EP4 receptor antagonists MERCK CANADA INC. (CA) 2012-04-17 US disclosed
WO-2010121382-A1 PROCESS FOR MAKING INDOLE CYCLOPROPYL AMIDE DERIVATIVES MERCK FROSST CANADA LTD. (CA) 2010-10-28 WO disclosed
WO-2010121382-A1 PROCESS FOR MAKING INDOLE CYCLOPROPYL AMIDE DERIVATIVES MERCK FROSST CANADA LTD. (CA) 2010-10-28 WO disclosed
CN-101622230-A Indole and indoline cyclopropyl amide derivatives as EP4 receptor antagonists MERCK FROSST CANADA LTD 2010-01-06 CN disclosed
US-20090318518-A1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC. (CA) 2009-12-24 US disclosed
US-20090318518-A1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC. (CA) 2009-12-24 US disclosed
US-20090318518-A1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK CANADA INC. (CA) 2009-12-24 US disclosed
EP-2114877-A1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2009-11-11 EP disclosed
WO-2008104055-A1 INDOLE AND INDOLINE CYCLOPROPYL AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2008-09-04 WO 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 10/4885PTGER3 3/4885

“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.