SCHEMBL13281925

SCHEMBL13281925

C=CCNC1CCc2c(CC(=O)OC)c3ccccn3c2C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.42
PTGDR Q13258 2/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.42
RB1 P06400 1/20 0.36
HTR1A P08908 4/20 0.35
EGFR P00533 1/20 0.34
HTR4 Q13639 2/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 1/20 0.31
CNR2 P34972 1/20 0.30
DRD4 P21917 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL13278872 0.85 DRD2 (0.45) CYP2C9PTGDRPTGDR2RB1DRD2
SCHEMBL13279600 0.81 CYP2C9 (0.46) CYP2C9PTGDRPTGDR2EGFRHTR4
SCHEMBL15428824 0.78 PTGDR2 (0.55) CYP2C9PTGDRPTGDR2RB1EGFR
SCHEMBL13281982 0.78 PTGDR2 (0.47) CYP2C9PTGDRPTGDR2EGFRCYP3A4
SCHEMBL3663657 0.75 PTGDR2 (0.56) CYP2C9PTGDRPTGDR2RB1HTR1A
SCHEMBL15428827 0.75 PTGDR2 (0.56) CYP2C9PTGDRPTGDR2RB1HTR1A
SCHEMBL13281924 0.74 PTGDR2 (0.48) CYP2C9PTGDRPTGDR2EGFRCYP3A4
SCHEMBL15428833 0.72 PTGDR2 (0.51) CYP2C9PTGDRPTGDR2CYP3A4DRD2
SCHEMBL15428825 0.67 PTGDR2 (0.56) CYP2C9PTGDRPTGDR2EGFRCYP3A4
SCHEMBL2189400 0.64 RB1 (0.36) CYP2C9PTGDRPTGDR2RB1HTR4

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 CYP2C9 226/4885PTGDR 1/4885PTGDR2 2/4885

“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.