SCHEMBL5777844

SCHEMBL5777844

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.35
TBXA2R P21731 2/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGIR P43119 1/20 0.35
GRIN2D O15399 4/20 0.34
GRIN3B O60391 4/20 0.34
GRIN1 Q05586 4/20 0.34
GRIN2A Q12879 4/20 0.34
GRIN2B Q13224 4/20 0.34
GRIN2C Q14957 4/20 0.34
GRIN3A Q8TCU5 4/20 0.34
FFAR4 Q5NUL3 2/20 0.31
FFAR1 O14842 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
SCHEMBL5776905 0.91 PTGDR (0.42) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL5777080 0.85 FFAR1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5772697 0.84 TBXA2R (0.37) PTGDRTBXA2RPTGER2GRIN2DGRIN3B
SCHEMBL6731677 0.81 GRIN2D (0.35) PTGDRTBXA2RGRIN2DGRIN3BGRIN1
SCHEMBL5776746 0.81 GRIN2D (0.41) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL5778024 0.81 GRIN2D (0.41) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL5779249 0.80 TBXA2R (0.38) PTGDRTBXA2RGRIN2DGRIN3BGRIN1
SCHEMBL5835723 0.80 GRIN2D (0.35) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL5774989 0.80 GRIN2D (0.36) PTGDRTBXA2RPTGER3PTGER2PTGIR
SCHEMBL5775908 0.79 PTGDR (0.44) PTGDRTBXA2RPTGER3PTGER2PTGIR

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 PTGDR 1/4885TBXA2R 22/4885PTGER3 16/4885

“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.