SCHEMBL5778048

SCHEMBL5778048

O=C(O)CC1CCc2cc3cc(F)ccc3n21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TBXA2R P21731 4/20 0.38
SIGMAR1 Q99720 3/20 0.37
TFPI2 P48307 1/20 0.36
PER2 O15055 1/20 0.36
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
MAPK1 P28482 1/20 0.34
CCR2 P41597 1/20 0.34
FFAR1 O14842 1/20 0.34

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 0.78 GRIN2D (0.41) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5778024 0.78 GRIN2D (0.41) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2016038 0.77 GRIN2D (0.38) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5774989 0.77 GRIN2D (0.36) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6731677 0.76 GRIN2D (0.35) KDM4ETBXA2RGRIN2DGRIN3BGRIN1
SCHEMBL5776905 0.76 PTGDR (0.42) KDM4ETBXA2RGRIN2DGRIN3BGRIN1
SCHEMBL5779249 0.75 TBXA2R (0.38) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5775726 0.75 PTGDR2 (0.42) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5835723 0.75 GRIN2D (0.35) TBXA2RGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5777844 0.74 PTGDR (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 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 KDM4E 4550/4885ALDH1A1 860/4885HPGD 25/4885

“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.