SCHEMBL2188342

SCHEMBL2188342

CCCC(C(=O)O)c1c2n(c3ccccc13)C[C@H](NC)CC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.41
TBXA2R P21731 4/20 0.41
PTGDR Q13258 7/20 0.38
PSIP1 O75475 1/20 0.36

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
SCHEMBL2189056 0.91 PTGDR2 (0.41) PTGDR2TBXA2RPTGDRPSIP1
SCHEMBL2187156 0.85 PTGDR2 (0.39) PTGDR2TBXA2RPTGDRPSIP1
SCHEMBL2188128 0.85 KMT2A (0.41) PTGDR2TBXA2R
SCHEMBL2190008 0.84 PTGDR2 (0.42) PTGDR2TBXA2RPTGDR
SCHEMBL2187304 0.84 PTGDR2 (0.40) PTGDR2TBXA2RPTGDRPSIP1
SCHEMBL2188973 0.78 PSIP1 (0.38) PTGDR2TBXA2RPTGDRPSIP1
SCHEMBL3663654 0.77 PTGDR2 (0.65) PTGDR2TBXA2RPTGDR
SCHEMBL15428826 0.77 PTGDR2 (0.65) PTGDR2TBXA2RPTGDR
SCHEMBL2190622 0.76 PTGDR2 (0.48) PTGDR2PTGDR
SCHEMBL12002810 0.76 DRD4 (0.41) PTGDR2PTGDRPSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346865-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS Merck Frosst Canada Ltd. (CA) 2011-07-27 EP disclosed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PTGDR2 2/4885TBXA2R 28/4885PTGDR 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.