SCHEMBL232733

SCHEMBL232733

CCOC(=O)Cc1c2n(c3ccccc13)CC(N(C)S(=O)(=O)c1ccc(F)cc1)CC2

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.79
PTGDR Q13258 16/20 0.79
TBXA2R P21731 12/20 0.79
CYP2C9 P11712 2/20 0.79
SLC6A3 Q01959 2/20 0.79
CYP3A4 P08684 1/20 0.79
DRD2 P14416 1/20 0.79
GABRA1 P14867 1/20 0.79
ADRA1D P25100 1/20 0.79
KCNH2 Q12809 1/20 0.68

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
SCHEMBL12347578 0.93 PTGDR2 (0.77) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL12347569 0.91 PTGDR2 (0.82) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL12347583 0.91 PTGDR2 (0.82) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
Mk-7246 SCHEMBL2186905 0.88 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
Mk-7246 SCHEMBL15428834 0.88 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
Mk-7246 SCHEMBL233950 0.88 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
Mk-7246 SCHEMBL29486331 0.88 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL1770244 0.88 PTGDR2 (0.81) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL12355439 0.86 PTGDR2 (0.79) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3
SCHEMBL12355499 0.82 PTGDR2 (0.75) PTGDR2PTGDRTBXA2RCYP2C9SLC6A3

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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC (US) 2012-01-05 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-20120004233-A1 TRICYCLIC COMPOUNDS AS ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885PTGDR 1/4885TBXA2R 6/4885

“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.