SCHEMBL13992167

SCHEMBL13992167

[2H]C([2H])(C(=O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)C([2H])([2H])c1ccccc1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 4/20 0.47
▸ CYSLTR1 Q9Y271 4/20 0.47
▸ PTGER1 P34995 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42

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
SCHEMBL201960 0.88 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL201961 0.88 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL30497375 0.88 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL29517073 0.88 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9199180 0.82 CYSLTR2 (0.51) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9199185 0.82 CYSLTR2 (0.51) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL14843775 0.82 CYSLTR1 (0.47) CYSLTR2CYSLTR1
SCHEMBL14843923 0.82 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL4424897 0.82 CYSLTR2 (0.47) CYSLTR2CYSLTR1
SCHEMBL4424900 0.82 CYSLTR2 (0.47) CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319007-A1 DEUTERIUM-ENRICHED MONTELUKAST PROTIA, LLC (US) 2008-12-25 — — 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-20080319007-A1 DEUTERIUM-ENRICHED MONTELUKAST NR3C2, MC2R, CYSLTR1 CYSLTR2 5/4885CYSLTR1 3/4885PTGER1 267/4885

“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.

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