SCHEMBL149782

SCHEMBL149782

CCOC(=O)Cc1ccc(OC)c(-c2ccc(-c3cnn(C)c3)cc2CNCCC(=O)C2CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.58
CYP3A4 P08684 1/20 0.43
PTGDR Q13258 1/20 0.43
BRD4 O60885 1/20 0.38
GSK3B P49841 4/20 0.36
DYRK1A Q13627 4/20 0.36
WNT1 P04628 3/20 0.36
USP30 Q70CQ3 1/20 0.36
MAPK8 P45983 1/20 0.35
HCRTR2 O43614 1/20 0.35
AAK1 Q2M2I8 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
SCHEMBL151412 0.91 PTGDR2 (0.68) PTGDR2CYP3A4PTGDR
SCHEMBL137498 0.88 PTGDR2 (0.57) PTGDR2CYP3A4PTGDRBRD4MAPK8
SCHEMBL154091 0.87 PTGDR2 (0.59) PTGDR2CYP3A4PTGDR
SCHEMBL151574 0.85 PTGDR2 (0.49) PTGDR2CYP3A4PTGDR
SCHEMBL137203 0.84 PTGDR2 (0.47) PTGDR2CYP3A4PTGDR
SCHEMBL152064 0.84 PTGDR2 (0.59) PTGDR2CYP3A4PTGDR
SCHEMBL153305 0.84 PTGDR2 (0.51) PTGDR2CYP3A4PTGDRGSK3BDYRK1A
SCHEMBL154285 0.83 PTGDR2 (0.44) PTGDR2CYP3A4PTGDR
SCHEMBL135141 0.82 PTGDR2 (0.84) PTGDR2CYP3A4PTGDR
SCHEMBL154284 0.82 PTGDR2 (0.59) PTGDR2CYP3A4PTGDR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-8067445-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2011-11-29 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 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 (3 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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 882/4885PTGDR 1/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 882/4885PTGDR 1/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885CYP3A4 882/4885PTGDR 1/4885

“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.