SCHEMBL5779067

SCHEMBL5779067

CC(C)c1cc(-c2nnn(C)n2)cc2c1c(Sc1ccc(Cl)cc1)c1n2CCC1CC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 19/20 0.69
PTGDR Q13258 7/20 0.59
PTGDR2 Q9Y5Y4 3/20 0.51
PTGER1 P34995 2/20 0.51
PTGER3 P43115 2/20 0.51
PTGER2 P43116 2/20 0.51
PTGER4 P35408 1/20 0.51
PTGFR P43088 1/20 0.51

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
SCHEMBL5779505 0.90 TBXA2R (0.67) TBXA2RPTGDRPTGDR2PTGER1PTGER3
SCHEMBL5775913 0.89 TBXA2R (0.69) TBXA2RPTGDRPTGDR2PTGER1PTGER3
SCHEMBL5778303 0.86 TBXA2R (0.69) TBXA2RPTGDRPTGDR2PTGER1PTGER3
SCHEMBL5775954 0.86 TBXA2R (0.69) TBXA2RPTGDRPTGDR2PTGER1PTGER3
SCHEMBL5777316 0.82 TBXA2R (1.00) TBXA2RPTGDRPTGDR2
SCHEMBL5835535 0.80 TBXA2R (0.77) TBXA2RPTGDRPTGDR2PTGER1PTGER3
SCHEMBL13416145 0.78 TBXA2R (0.90) TBXA2RPTGDRPTGDR2
SCHEMBL10312500 0.78 TBXA2R (0.90) TBXA2RPTGDRPTGDR2
SCHEMBL5778917 0.77 TBXA2R (0.74) TBXA2RPTGDRPTGDR2
SCHEMBL5777305 0.77 TBXA2R (1.00) TBXA2RPTGDRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR TBXA2R 22/4885PTGDR 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.