SCHEMBL5776062

SCHEMBL5776062

O=C(CC1CCn2c1cc1c(Br)cc(F)cc12)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.35
NAAA Q02083 3/20 0.35
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
PPARA Q07869 2/20 0.33
DPP4 P27487 1/20 0.32
SCD5 Q86SK9 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL5776771 0.78 TBXA2R (0.66) TBXA2RPTGDR2
SCHEMBL5778018 0.76 TBXA2R (0.51) TBXA2RPTGDR2S1PR1
SCHEMBL5776069 0.73 NAAA (0.34) TBXA2RNAAACSNK2BCSNK2A1PPARA
SCHEMBL2082875 0.72 NAAA (0.47) NAAAPPARAIDH1
SCHEMBL2082871 0.72 NAAA (0.47) NAAAPPARAIDH1
SCHEMBL15873097 0.71 NAAA (0.44) NAAAPPARAALDH1A1IDH1
SCHEMBL292406 0.71 NAAA (0.44) NAAAPPARAALDH1A1IDH1
SCHEMBL292405 0.71 NAAA (0.44) NAAAPPARAALDH1A1IDH1
SCHEMBL13368994 0.71 NAAA (0.50) NAAAPPARAIDH1
SCHEMBL5775915 0.70 TBXA2R (0.45) 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 22/4885NAAA 1369/4885CSNK2B 2564/4885

“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.