SCHEMBL2189353

SCHEMBL2189353

CN(C(=O)C1(c2ccc(F)cc2)CCCC1)[C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 1.00
CYP3A4 P08684 2/20 1.00
PTGDR Q13258 2/20 0.65
CYP2C9 P11712 1/20 0.65
DRD2 P14416 1/20 0.65
GABRA1 P14867 1/20 0.65
TBXA2R P21731 1/20 0.65
ADRA1D P25100 1/20 0.65
SLC6A3 Q01959 1/20 0.65

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
SCHEMBL2188929 0.98 PTGDR2 (1.00) PTGDR2CYP3A4PTGDRCYP2C9DRD2
SCHEMBL2187260 0.97 PTGDR2 (1.00) PTGDR2CYP3A4PTGDRCYP2C9DRD2
SCHEMBL2188220 0.93 PTGDR2 (1.00) PTGDR2CYP3A4PTGDRCYP2C9DRD2
SCHEMBL2192820 0.92 PTGDR2 (0.84) PTGDR2CYP3A4PTGDRTBXA2R
SCHEMBL2214953 0.87 PTGDR2 (1.00) PTGDR2CYP3A4PTGDR
SCHEMBL2188596 0.86 PTGDR2 (0.81) PTGDR2CYP3A4PTGDRCYP2C9DRD2
SCHEMBL2189607 0.86 PTGDR2 (0.79) PTGDR2CYP3A4PTGDRCYP2C9DRD2
SCHEMBL2215863 0.85 PTGDR2 (1.00) PTGDR2CYP3A4PTGDR
SCHEMBL13463641 0.83 PTGDR2 (1.00) PTGDR2CYP3A4PTGDRCYP2C9DRD2
SCHEMBL2190061 0.83 PTGDR2 (1.00) PTGDR2CYP3A4PTGDRCYP2C9DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US claimed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 US claimed
EP-2346865-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK CANADA INC (CA) 2015-07-15 EP disclosed
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-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
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 2/4885CYP3A4 2051/4885PTGDR 3/4885

“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.