SCHEMBL2189784

SCHEMBL2189784

O=C(O)Cc1c2n(c3ccccc13)C[C@H](N(Cc1ccc(F)cc1)C(=O)Cc1ccc(F)cc1)CC2

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.78
PTGDR Q13258 7/20 0.72
TBXA2R P21731 5/20 0.72
CYP2C9 P11712 2/20 0.72
CYP3A4 P08684 1/20 0.65
DRD2 P14416 1/20 0.65
GABRA1 P14867 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
SCHEMBL2190295 0.88 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL2188674 0.88 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL2188012 0.81 PTGDR2 (1.00) PTGDR2PTGDR
SCHEMBL13463641 0.79 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL2190061 0.79 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL2188151 0.79 PTGDR2 (1.00) PTGDR2PTGDRTBXA2R
Mk-7246 SCHEMBL2186905 0.79 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
Mk-7246 SCHEMBL29486331 0.79 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
Mk-7246 SCHEMBL15428834 0.79 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
Mk-7246 SCHEMBL233950 0.79 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4

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 12 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 claimed
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 2/4885PTGDR 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.