SCHEMBL12417152

SCHEMBL12417152

CC(C(=O)N(C)[C@@H]1CCc2c(CC(=O)O)c3cccc(F)c3n2C1)c1ccc(F)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.78
PTGDR Q13258 8/20 0.70
TBXA2R P21731 7/20 0.70
CYP2C9 P11712 4/20 0.70
CYP3A4 P08684 2/20 0.53
KCNH2 Q12809 1/20 0.53
DRD2 P14416 1/20 0.53
GABRA1 P14867 1/20 0.53
ADRA1D P25100 1/20 0.53
SLC6A3 Q01959 1/20 0.53

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
SCHEMBL2189148 0.88 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL2214672 0.84 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL15518279 0.84 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL2215872 0.84 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL2190659 0.81 PTGDR2 (0.88) PTGDR2PTGDR
SCHEMBL2188049 0.80 PTGDR2 (0.86) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL3088522 0.78 PTGDR2 (0.64) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL2214398 0.77 PTGDR2 (0.86) PTGDR2PTGDR
SCHEMBL2188102 0.77 PTGDR2 (0.80) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL15519218 0.77 PTGDR2 (0.87) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346865-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2015-07-15 EP disclosed
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 US disclosed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 US disclosed
WO-2010031183-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD. (CA) 2010-03-25 WO 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885PTGDR 3/4885TBXA2R 28/4885

“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.