SCHEMBL136799

SCHEMBL136799

COC(=O)Cc1ccc(OC)c(-c2ccc(C)cc2CN(C(C)=O)[C@@H]2CCc3ccccc32)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CTSD P07339 2/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 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
SCHEMBL134639 1.00 PTGDR2 (0.42) PTGDR2SMN1; SMN2KMT2ATBXA2RPTGDR
SCHEMBL137402 0.92 PTGDR2 (0.49) PTGDR2TBXA2RPTGDR
SCHEMBL137268 0.92 PTGDR2 (0.49) PTGDR2TBXA2RPTGDR
SCHEMBL150364 0.89 PTGDR2 (0.56) PTGDR2TBXA2RPTGDR
SCHEMBL150363 0.89 PTGDR2 (0.56) PTGDR2TBXA2RPTGDR
SCHEMBL158336 0.89 PTGDR2 (0.56) PTGDR2TBXA2RPTGDR
SCHEMBL137271 0.85 PTGDR2 (0.44) PTGDR2TBXA2RPTGDRJAK2JAK3
SCHEMBL136938 0.84 PTGDR2 (0.40) PTGDR2TBXA2RPTGDRJAK2JAK3
SCHEMBL136936 0.84 PTGDR2 (0.49) PTGDR2TBXA2RPTGDRJAK2JAK3
SCHEMBL135796 0.84 PTGDR2 (0.39) PTGDR2TBXA2RPTGDRJAK2JAK3

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 2/4885SMN1; SMN2 4708/4885KMT2A 4559/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885SMN1; SMN2 4708/4885KMT2A 4559/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885SMN1; SMN2 4708/4885KMT2A 4559/4885

“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.