SCHEMBL1757680

SCHEMBL1757680

Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CCO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.77
ALDH1A1 P00352 5/20 0.54
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTT P42858 1/20 0.47
PDE4A P27815 2/20 0.47
PDE4B Q07343 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
MEN1 O00255 1/20 0.44
PPARG P37231 1/20 0.44
KMT2A Q03164 1/20 0.44
NCOA2 Q15596 1/20 0.44

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 0.87 PTGDR2 (1.00) PTGDR2ALDH1A1
SCHEMBL1757697 0.85 PTGDR2 (0.84) PTGDR2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1757859 0.84 PTGDR2 (0.76) PTGDR2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1757537 0.83 PTGDR2 (0.81) PTGDR2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1757887 0.82 PTGDR2 (0.90) PTGDR2ALDH1A1
Methane SCHEMBL1757339 0.81 PTGDR2 (0.77) PTGDR2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1758001 0.81 PTGDR2 (0.77) PTGDR2ALDH1A1LMNAMEN1KMT2A
SCHEMBL1757105 0.81 PTGDR2 (0.86) PTGDR2CYP2C9
SCHEMBL1757336 0.80 PTGDR2 (0.79) PTGDR2ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1757606 0.80 PTGDR2 (0.66) PTGDR2ALDH1A1CYP1A2CYP3A4CYP2C9

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
US-20110105509-A1 INDOLE BASED RECEPTOR CRTH2 ANTAGONISTS WYETH, LLC (US) 2011-05-05 US claimed
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 13/4885ALDH1A1 1069/4885CYP1A2 879/4885

“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.