SCHEMBL3093142

SCHEMBL3093142

CC(c1ccccc1)c1cnnn1[C@@H]1CCc2c(CC(=O)O)c3ccccn3c2C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.47
CYP2C9 P11712 2/20 0.47
PTGDR Q13258 2/20 0.47
CYP3A4 P08684 1/20 0.33
HSD11B1 P28845 1/20 0.32
HTR4 Q13639 2/20 0.30

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
SCHEMBL3084890 0.85 PTGDR2 (0.36) PTGDR2CYP2C9PTGDRHSD11B1
SCHEMBL3096048 0.85 PTGDR2 (0.43) PTGDR2CYP2C9PTGDRCYP3A4HSD11B1
SCHEMBL3084777 0.82 PTGDR2 (0.46) PTGDR2CYP2C9PTGDRCYP3A4HSD11B1
SCHEMBL3092010 0.81 PTGDR2 (0.46) PTGDR2CYP2C9PTGDRCYP3A4HSD11B1
SCHEMBL3088635 0.80 PTGDR2 (0.54) PTGDR2CYP2C9PTGDRCYP3A4
SCHEMBL3090409 0.80 PTGDR2 (0.44) PTGDR2CYP2C9PTGDRCYP3A4HSD11B1
SCHEMBL3084735 0.79 PTGDR2 (0.44) PTGDR2CYP2C9PTGDRCYP3A4HSD11B1
SCHEMBL3096359 0.79 CYP2C9 (0.44) PTGDR2CYP2C9PTGDRCYP3A4
SCHEMBL3078753 0.79 PTGDR2 (0.53) PTGDR2CYP2C9PTGDRCYP3A4HSD11B1
SCHEMBL3097142 0.78 PTGDR2 (0.52) PTGDR2CYP2C9PTGDRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492267-B1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient MERCK SHARP & DOHME (US) 2014-11-26 EP claimed
EP-2401269-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-29 EP claimed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US claimed
EP-2492267-A1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient Merck Sharp & Dohme Corp. (US) 2012-08-29 EP claimed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 US claimed
EP-2492267-B1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient MERCK SHARP & DOHME (US) 2014-11-26 EP disclosed
EP-2401269-B1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-8394819-B2 Indole derivatives as CRTH2 receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-03-12 US disclosed
EP-2492267-A1 Indole derivatives as CRTH2 receptor antagonists in combination with a second active ingredient Merck Sharp & Dohme Corp. (US) 2012-08-29 EP disclosed
US-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-09-16 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-20100234415-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885CYP2C9 1320/4885PTGDR 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.