SCHEMBL154407

SCHEMBL154407

CCOC(=O)Cc1ccc(OC)c(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2CNCCC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.41
AAK1 Q2M2I8 2/20 0.36
DRD2 P14416 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
TBXA2R P21731 2/20 0.33
PTGDR Q13258 2/20 0.33
POLB P06746 1/20 0.32
UCHL1 P09936 1/20 0.32
HIF1A Q16665 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PTGIR P43119 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL137116 0.84 PTGDR2 (0.45) PTGDR2DRD2MTNR1AMTNR1BTBXA2R
SCHEMBL134775 0.83 PTGDR2 (0.46) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL151818 0.78 PTGDR2 (0.51) PTGDR2DRD2MTNR1AMTNR1BTBXA2R
SCHEMBL152507 0.78 PTGDR2 (0.42) PTGDR2DRD2MTNR1AMTNR1BTBXA2R
SCHEMBL153704 0.77 PTGDR2 (0.51) PTGDR2DRD2TBXA2RPTGDRCYP3A4
SCHEMBL3390395 0.76 DRD2 (0.38) PTGDR2DRD2MTNR1AMTNR1BPOLB
SCHEMBL3388918 0.74 PTGDR2 (0.39) PTGDR2DRD2MTNR1AMTNR1BPOLB
SCHEMBL3422373 0.73 PTGDR2 (0.37) PTGDR2DRD2MTNR1AMTNR1BPOLB
SCHEMBL140559 0.72 PTGDR2 (0.59) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137203 0.72 PTGDR2 (0.47) PTGDR2TBXA2RPTGDRCYP3A4

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 12 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-8785393-B2 Ophthalmic pharmaceutical compositions of DP2 receptor antagonists PANMIRA PHARMACEUTICALS, LLC (US) 2014-07-22 US 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-20120184496-A1 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS PANMIRA PHARMACEUTICALS, LLC (US) 2012-07-19 US disclosed
EP-2461809-A2 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS Panmira Pharmaceuticals, LLC (US) 2012-06-13 EP 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
WO-2011014587-A2 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-03 WO disclosed
EP-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 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 (4 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-20120184496-A1 OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS PTGER2, P2RY2, TBXA2R PTGDR2 5/4885AAK1 1878/4885DRD2 454/4885
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885AAK1 2156/4885DRD2 41/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885AAK1 2156/4885DRD2 41/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PTGDR2 2/4885AAK1 2156/4885DRD2 41/4885

“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.