SCHEMBL8739631

SCHEMBL8739631

C=CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(Br)cc3)cc2)ncc1CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.51
TBXA2R P21731 1/20 0.51
PTGDR Q13258 1/20 0.51
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
NR1H4 Q96RI1 2/20 0.40
CTNNB1 P35222 2/20 0.39
TCF7L2 Q9NQB0 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8739184 0.91 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL1654021 0.91 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL8739307 0.87 KDM4E (0.53) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
SCHEMBL8739349 0.86 PTGDR2 (0.53) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL8738085 0.84 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL12952844 0.82 PTGDR2 (0.60) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL1010102 0.81 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL1008774 0.81 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL15746411 0.81 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRNR1H4
SCHEMBL8738858 0.81 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRMEN1KMT2A

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.