SCHEMBL3085509

SCHEMBL3085509

O=C(O)Cc1c2c(n3c(F)cccc13)CC(n1nncc1Cc1ccccc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.39
PTGDR2 Q9Y5Y4 5/20 0.36
CYP2C9 P11712 1/20 0.36
PTGDR Q13258 1/20 0.36
HSD11B1 P28845 4/20 0.35

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
SCHEMBL204984 0.95 PTGDR2 (0.38) AGTR2PTGDR2CYP2C9PTGDRHSD11B1
SCHEMBL3089892 0.95 PTGDR2 (0.38) AGTR2PTGDR2CYP2C9PTGDRHSD11B1
SCHEMBL3099698 0.93 PTGDR2 (0.34) AGTR2PTGDR2CYP2C9PTGDRHSD11B1
SCHEMBL3084609 0.91 PTGDR2 (0.37) AGTR2PTGDR2CYP2C9PTGDRHSD11B1
SCHEMBL3090539 0.87 PTGDR2 (0.38) PTGDR2CYP2C9PTGDRHSD11B1
SCHEMBL3084777 0.85 PTGDR2 (0.46) AGTR2PTGDR2CYP2C9PTGDRHSD11B1
SCHEMBL3078753 0.83 PTGDR2 (0.53) AGTR2PTGDR2CYP2C9PTGDRHSD11B1
SCHEMBL3084890 0.83 PTGDR2 (0.36) PTGDR2CYP2C9PTGDRHSD11B1
SCHEMBL3220734 0.83 PTGDR2 (0.39) AGTR2PTGDR2CYP2C9PTGDR
SCHEMBL3091564 0.81 PTGDR2 (0.39) PTGDR2CYP2C9PTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 AGTR2 48/4885PTGDR2 2/4885CYP2C9 1320/4885

“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.