SCHEMBL7248571

SCHEMBL7248571

CCC(C(=O)O)C1CCCc2c1n(Cc1ccc(Cl)cc1)c1c(Br)cc(F)cc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.68
PTGDR Q13258 12/20 0.63
TBXA2R P21731 12/20 0.63
PTGER3 P43115 3/20 0.63
PTGER2 P43116 3/20 0.63
PTGIR P43119 3/20 0.63
PTGER1 P34995 2/20 0.63
PTGFR P43088 2/20 0.63
PTGER4 P35408 1/20 0.63
PDE4A P27815 1/20 0.49
TSPO P30536 1/20 0.49
DRD3 P35462 1/20 0.49
PDE4D Q08499 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL9519276 0.85 TBXA2R (0.67) PDE2APTGDRTBXA2RPTGER3PTGER2
SCHEMBL9518525 0.81 TBXA2R (0.52) PDE2APTGDRTBXA2RMEN1KMT2A
SCHEMBL1408220 0.81 PDE2A (1.00) PDE2APTGDRTBXA2RPTGER3PTGER2
SCHEMBL4456631 0.80 PTGDR (0.61) PDE2APTGDRTBXA2RPTGER3PTGER2
SCHEMBL9521310 0.79 TBXA2R (0.64) PDE2APTGDRTBXA2R
SCHEMBL4100256 0.79 PDE2A (0.78) PDE2APTGDRTBXA2RPTGER3PTGER2
SCHEMBL9519669 0.78 TBXA2R (0.56) PDE2APTGDRTBXA2RPTGDR2
SCHEMBL1254353 0.77 PTGDR (1.00) PDE2APTGDRTBXA2RPTGER3PTGER2
SCHEMBL4100109 0.77 PTGDR (1.00) PDE2APTGDRTBXA2RPTGER3PTGER2
SCHEMBL9518784 0.76 TBXA2R (0.54) PTGDRTBXA2RPTGDR2CYP3A4CYP2C9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158246-A1 For the treatment of prostaglandin mediated diseases, such as allergic asthma or rhinitis. MERCK FROSST CANADA & CO. (CA) 2003-08-21 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-20030158246-A1 For the treatment of prostaglandin mediated diseases, such as allergic asthma or rhinitis. PTGES, PTGIR, PTGER1 PDE2A 362/4885PTGDR 14/4885TBXA2R 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.