SCHEMBL5778024

SCHEMBL5778024

O=C(O)C[C@H]1CCc2cc3cc(F)cc(Br)c3n21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 6/20 0.41
GRIN3B O60391 6/20 0.41
GRIN1 Q05586 6/20 0.41
GRIN2A Q12879 6/20 0.41
GRIN2B Q13224 6/20 0.41
GRIN2C Q14957 6/20 0.41
GRIN3A Q8TCU5 6/20 0.41
TBXA2R P21731 4/20 0.41
PTGDR Q13258 3/20 0.41
PTGER1 P34995 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGFR P43088 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
PTGIR P43119 1/20 0.41
PDE2A O00408 1/20 0.39
IDO1 P14902 1/20 0.36
PKM P14618 1/20 0.33
FFAR4 Q5NUL3 3/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL5776746 1.00 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5774989 0.84 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5776905 0.82 PTGDR (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6731677 0.82 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5775726 0.81 PTGDR2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5835723 0.81 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5779249 0.81 TBXA2R (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5777844 0.81 PTGDR (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5775908 0.81 PTGDR (0.44) TBXA2RPTGDRPTGER1PTGFRPTGER3
SCHEMBL5774572 0.81 PTGDR (0.44) TBXA2RPTGDRPTGER1PTGFRPTGER3

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 GRIN2D 950/4885GRIN3B 1714/4885GRIN1 1464/4885

“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.