SCHEMBL5777741

SCHEMBL5777741

CC(C)c1cc(OS(=O)(=O)C(F)(F)F)cc2cc3n(c12)C(CC(=O)O)CC3

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.31
GRIN3B O60391 4/20 0.31
GRIN1 Q05586 4/20 0.31
GRIN2A Q12879 4/20 0.31
GRIN2B Q13224 4/20 0.31
GRIN2C Q14957 4/20 0.31
GRIN3A Q8TCU5 4/20 0.31
DRD2 P14416 1/20 0.30
HTR1D P28221 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL5779558 0.86 FFAR1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5776227 0.85 PDE2A (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5779249 0.82 TBXA2R (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5776344 0.82 TBXA2R (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5775680 0.80 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2923856 0.75 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5775631 0.71 GRIN2D (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5775908 0.70 PTGDR (0.44) DRD3
SCHEMBL5774572 0.70 PTGDR (0.44) DRD3
SCHEMBL5777581 0.69 PDE2A (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 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.