SCHEMBL5776742

SCHEMBL5776742

O=C(O)CC1CCn2c1cc1c(Br)cc(F)cc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.45
S1PR1 P21453 2/20 0.42
PTGER1 P34995 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGFR P43088 1/20 0.40
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
PTGIR P43119 1/20 0.40
PTGDR Q13258 1/20 0.40
PDE2A O00408 1/20 0.39

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
SCHEMBL5778018 1.00 TBXA2R (0.51) TBXA2RPTGDR2S1PR1PTGER1PTGER4
SCHEMBL5775915 0.93 TBXA2R (0.45) TBXA2RPTGDR2S1PR1PTGER1PTGER4
SCHEMBL5774986 0.84 TBXA2R (0.51) TBXA2RPTGDR2S1PR1
SCHEMBL5775625 0.84 S1PR1 (0.47) TBXA2RS1PR1
SCHEMBL5776896 0.83 TBXA2R (0.52) TBXA2RPTGDR2PTGER3PTGER2PTGIR
SCHEMBL5774455 0.83 TBXA2R (0.40) TBXA2RPTGDR2S1PR1PTGDR
SCHEMBL5777326 0.83 TBXA2R (0.44) TBXA2RPTGDR2S1PR1
SCHEMBL5835717 0.82 TBXA2R (0.45) TBXA2RPTGDR2PTGDRPDE2A
SCHEMBL5775723 0.82 S1PR1 (0.47) TBXA2RPTGDR2S1PR1
SCHEMBL5771752 0.82 TBXA2R (0.52) TBXA2RPTGDR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
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 22/4885PTGDR2 2/4885S1PR1 202/4885

“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.