SCHEMBL13278751

SCHEMBL13278751

CNC1CCc2c(CC(=O)OC)c3ccc(Cl)cc3n2C1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.59
TBXA2R P21731 1/20 0.48
PTGDR Q13258 1/20 0.48

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
SCHEMBL13278879 1.00 PTGDR2 (0.59) PTGDR2TBXA2RPTGDR
SCHEMBL13278753 1.00 PTGDR2 (0.59) PTGDR2TBXA2RPTGDR
SCHEMBL17907960 0.92 PTGDR2 (0.49) PTGDR2TBXA2RPTGDR
SCHEMBL17907967 0.88 PTGDR2 (0.59) PTGDR2TBXA2RPTGDR
SCHEMBL17907995 0.86 PTGDR2 (0.52) PTGDR2TBXA2RPTGDR
SCHEMBL17907972 0.85 PTGDR2 (0.52) PTGDR2TBXA2RPTGDR
SCHEMBL17907989 0.85 PTGDR2 (0.52) PTGDR2TBXA2RPTGDR
SCHEMBL17907926 0.82 PTGDR2 (0.47) PTGDR2TBXA2RPTGDR
SCHEMBL17907966 0.81 PTGDR2 (0.51) PTGDR2TBXA2RPTGDR
SCHEMBL17907993 0.81 PTGDR2 (0.50) PTGDR2TBXA2RPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697223-B1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-07-13 EP disclosed
US-9096595-B2 7-(heteroaryl-amino)-6,7,8,9-tetrahydropyrido[1,2-a]indol acetic acid derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD (CH) 2015-08-04 US disclosed
EP-2697223-A1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-02-19 EP disclosed
US-20140045870-A1 7-(Heteroaryl-Amino)-6,7,8,9-Tetrahydropyrido[1,2-A]Indol Acetic Acid Derivatives and Their Use as Prostaglandin D2 Receptor Modulators ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-13 US disclosed
WO-2012140612-A1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-10-18 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-20140045870-A1 7-(Heteroaryl-Amino)-6,7,8,9-Tetrahydropyrido[1,2-A]Indol Acetic Acid Derivatives and Their Use as Prostaglandin D2 Receptor Modulators PTGDR, PTGDR2, PTGER1 PTGDR2 2/4885TBXA2R 6/4885PTGDR 1/4885

“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.