SCHEMBL1757537

SCHEMBL1757537

Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CC(=O)N(C)C

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.81
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1757689 0.90 PTGDR2 (1.00) PTGDR2ALDH1A1
SCHEMBL1757697 0.88 PTGDR2 (0.84) PTGDR2SMN1; SMN2ALDH1A1NPSR1CYP1A2
SCHEMBL1757887 0.85 PTGDR2 (0.90) PTGDR2ALDH1A1
Methane SCHEMBL1757339 0.83 PTGDR2 (0.77) PTGDR2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1758001 0.83 PTGDR2 (0.77) PTGDR2ALDH1A1KDM4EHPGD
SCHEMBL1757680 0.83 PTGDR2 (0.77) PTGDR2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1757105 0.83 PTGDR2 (0.86) PTGDR2CYP2C9
SCHEMBL1757336 0.83 PTGDR2 (0.79) PTGDR2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1757859 0.82 PTGDR2 (0.76) PTGDR2ALDH1A1NPSR1CYP1A2CYP3A4
SCHEMBL1757148 0.81 PTGDR2 (0.84) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO claimed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US claimed
WO-2011055270-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH LLC (US) 2011-05-12 WO disclosed
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 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-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS HRH2, CRHR2, CRHR1 PTGDR2 13/4885SMN1; SMN2 4493/4885ALDH1A1 1069/4885

“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.