SCHEMBL8739281

SCHEMBL8739281

CC(c1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)nc(N(C)C2CC2)c1CC(=O)O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.50
TBXA2R P21731 1/20 0.50
PTGDR Q13258 1/20 0.50
NR1H4 Q96RI1 2/20 0.49
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1007096 0.84 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRNR1H4MEN1
SCHEMBL1228413 0.84 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRNR1H4MEN1
SCHEMBL1650967 0.81 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRNR1H4MEN1
SCHEMBL1009493 0.78 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRNR1H4MEN1
SCHEMBL2007440 0.78 NR1H4 (0.54) PTGDR2TBXA2RPTGDRNR1H4MEN1
SCHEMBL1010317 0.77 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRNR1H4MEN1
SCHEMBL1010805 0.76 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRNR1H4MEN1
SCHEMBL12568957 0.76 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRNR1H4MEN1
SCHEMBL1652346 0.75 NR1H4 (0.55) PTGDR2TBXA2RPTGDRNR1H4MEN1
SCHEMBL1652082 0.75 NR1H4 (0.55) PTGDR2TBXA2RPTGDRNR1H4MEN1

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-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 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-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS HRH2, HRH1, HRH4 PTGDR2 11/4885TBXA2R 20/4885PTGDR 30/4885

“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.