SCHEMBL8738530

SCHEMBL8738530

CN(C)c1nc(Cc2ccc(N(C)C(=O)c3ccccc3)cc2)nc(Cl)c1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.49
TBXA2R P21731 1/20 0.49
PTGDR Q13258 1/20 0.49
NR1H4 Q96RI1 1/20 0.43
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PDE10A Q9Y233 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP26B1 Q9NR63 1/20 0.37
MEN1 O00255 1/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1010306 0.93 PTGDR2 (0.51) PTGDR2TBXA2RPTGDRNR1H4EGFR
SCHEMBL8737664 0.86 NPC1 (0.48) PTGDR2TBXA2RPTGDRKMT2AKDM4E
SCHEMBL8737848 0.83 PTGDR2 (0.42) PTGDR2TBXA2RPTGDRKMT2ASMN1; SMN2
SCHEMBL3443023 0.82 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRSMN1; SMN2ALDH1A1
SCHEMBL12569006 0.82 TBXA2R (0.42) PTGDR2TBXA2RPTGDRNR1H4KDM4E
SCHEMBL3442754 0.81 PTGDR2 (0.50) PTGDR2TBXA2RPTGDRKDM4ESMN1; SMN2
SCHEMBL1652154 0.81 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRNR1H4KDM4E
SCHEMBL1652194 0.79 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRNR1H4KMT2A
SCHEMBL1010317 0.78 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRNR1H4KMT2A
SCHEMBL1652104 0.78 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRNR1H4KMT2A

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 3 patents. 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
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
WO-2010089391-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 WO 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.