SCHEMBL137289

SCHEMBL137289

CCOC(=O)Cc1cccc(-c2ccc(C)cc2CN(CC)C(=O)C2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.44
CYP3A4 P08684 1/20 0.43
PTGDR Q13258 1/20 0.43
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
CHRM5 P08912 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL134933 0.89 PTGDR2 (0.52) PTGDR2
SCHEMBL143478 0.88 PTGDR2 (0.59) PTGDR2
SCHEMBL135255 0.87 PTGDR2 (0.43) PTGDR2CYP3A4PTGDRALDH1A1
SCHEMBL137688 0.84 PTGDR2 (0.50) PTGDR2
SCHEMBL16501897 0.83 PTGDR2 (0.45) PTGDR2CYP3A4PTGDR
SCHEMBL136154 0.83 PTGDR2 (0.64) PTGDR2CYP3A4PTGDR
SCHEMBL16501871 0.82 ALDH1A1 (0.42) PTGDR2CYP3A4PTGDRF11KLKB1
SCHEMBL16501904 0.81 PTGDR2 (0.47) PTGDR2CYP3A4PTGDRKDM4EALDH1A1
SCHEMBL16501963 0.80 PTGDR2 (0.47) PTGDR2CYP3A4PTGDR
SCHEMBL16501971 0.80 PTGDR2 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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.