SCHEMBL8738480

SCHEMBL8738480

C=CN(C)c1nc(C(C)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)ncc1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.49
TBXA2R P21731 1/20 0.48
PTGDR Q13258 1/20 0.48
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39
KCNQ1 P51787 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL1010095 0.91 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRHIF1AEPAS1
SCHEMBL1008918 0.82 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRRAB9A
SCHEMBL15746436 0.81 PTGDR2 (0.47) PTGDR2TBXA2RPTGDR
SCHEMBL1010589 0.81 PTGDR2 (0.50) PTGDR2TBXA2RPTGDRKCNQ3KCNQ2
SCHEMBL8739267 0.80 SMN1; SMN2 (0.45) PTGDR2NPC1RAB9A
SCHEMBL8739132 0.79 EGFR (0.49) PTGDR2NPC1RAB9A
SCHEMBL1008787 0.77 PTGDR2 (0.55) PTGDR2NPC1RAB9A
SCHEMBL1010884 0.77 PTGDR2 (0.52) PTGDR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL8739184 0.74 PTGDR2 (0.53) PTGDR2TBXA2RPTGDR
SCHEMBL8739349 0.73 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRTRPV1

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.