SCHEMBL6735830

SCHEMBL6735830

O=C(O)CC1CCn2c1c(CCc1ccc(Cl)cc1)c1c(Br)cc(F)cc12

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 18/20 0.75
PTGDR2 Q9Y5Y4 1/20 0.53
PTGER1 P34995 1/20 0.52
PTGER4 P35408 1/20 0.52
PTGFR P43088 1/20 0.52
PTGER3 P43115 1/20 0.52
PTGER2 P43116 1/20 0.52
PTGIR P43119 1/20 0.52
PTGDR Q13258 1/20 0.52
PDE2A O00408 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
SCHEMBL6727090 0.92 TBXA2R (0.75) TBXA2RPTGDR2PTGER1PTGER4PTGFR
SCHEMBL5773893 0.83 TBXA2R (1.00) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5777300 0.83 TBXA2R (0.65) TBXA2RPTGDR2
SCHEMBL5774875 0.83 TBXA2R (0.75) TBXA2RPTGDR2PTGER1PTGFRPTGER3
SCHEMBL5779006 0.81 TBXA2R (0.67) TBXA2RPTGDR2PTGER1PTGFRPTGER3
SCHEMBL5775922 0.79 TBXA2R (1.00) TBXA2RPTGDR2PTGER1PTGFRPTGER3
SCHEMBL5777761 0.78 TBXA2R (0.89) TBXA2RPTGDR2PTGER1PTGFRPTGER3
SCHEMBL5778581 0.77 TBXA2R (0.61) TBXA2RPTGDR2PTGER1PTGFRPTGER3
SCHEMBL5776058 0.76 TBXA2R (0.73) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5772423 0.75 TBXA2R (0.59) TBXA2RPTGDR2PTGER1PTGFRPTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 22/4885PTGDR2 2/4885PTGER1 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.