SCHEMBL5776344

SCHEMBL5776344

CC(C)c1cc(F)cc2cc3n(c12)[C@@H](CC(=O)O)CC3

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.38
GRIN2D O15399 4/20 0.35
GRIN3B O60391 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
GRIN2B Q13224 4/20 0.35
GRIN2C Q14957 4/20 0.35
GRIN3A Q8TCU5 4/20 0.35
PTGDR Q13258 8/20 0.34
PDE2A O00408 3/20 0.34
NLRP3 Q96P20 3/20 0.33

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
SCHEMBL5779249 1.00 TBXA2R (0.38) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6727029 0.88 TBXA2R (0.40) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5775680 0.88 GRIN2D (0.37) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5779558 0.85 FFAR1 (0.35) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2923856 0.82 GRIN2D (0.34) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5777741 0.82 GRIN2D (0.31) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5776905 0.82 PTGDR (0.42) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5776746 0.81 GRIN2D (0.41) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5778024 0.81 GRIN2D (0.41) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5835723 0.81 GRIN2D (0.35) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A

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 TBXA2R 22/4885GRIN2D 950/4885GRIN3B 1714/4885

“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.