SCHEMBL150245

SCHEMBL150245

CC(O)c1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.59
LIPG Q9Y5X9 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CES2 O00748 2/20 0.34
GSK3B P49841 1/20 0.34
PNMT P11086 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL31040742 1.00 PDE2A (0.59) PDE2ALIPGTAS2R14SCN10ANPSR1
SCHEMBL6794936 1.00 PDE2A (0.59) PDE2ALIPGTAS2R14SCN10ANPSR1
SCHEMBL31064629 1.00 PDE2A (0.59) PDE2ALIPGTAS2R14SCN10ANPSR1
SCHEMBL2481758 0.85 PDE2A (0.64) PDE2ALIPGTAS2R14SCN10ANPSR1
SCHEMBL27850851 0.85 PDE2A (0.64) PDE2ALIPGTAS2R14SCN10ANPSR1
SCHEMBL27705806 0.85 PDE2A (0.44) PDE2ATAS2R14NPSR1MAPTXBP1
SCHEMBL22747383 0.85 PDE2A (0.44) PDE2ATAS2R14NPSR1MAPTXBP1
SCHEMBL31369068 0.81 PDE2A (0.42) PDE2ATAS2R14NPSR1MAPTXBP1
SCHEMBL25117718 0.81 PDE2A (0.42) PDE2ALIPGTAS2R14NPSR1MAPT
SCHEMBL31064610 0.81 PDE2A (0.64) PDE2ATAS2R14NPSR1MAPTXBP1

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 22 patents — showing the first 20. 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
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
US-9012443-B2 Bicyclic aryl and heteroaryl sodium channel inhibitors AMGEN INC. (US) 2015-04-21 US disclosed
EP-2788332-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN, INC. (US) 2014-10-15 EP disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
WO-2013086229-A1 BICYCLIC ARYL AND HETEROARYL SODIUM CHANNEL INHIBITORS AMGEN INC. (US) 2013-06-13 WO disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 US disclosed
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors AMGEN INC. (US) 2013-06-13 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-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
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
CN-101952244-A PGD 2The N of acceptor, N-disubstituted amido alkyl biphenyl antagonist AMIRA PHARMACEUTICALS INC 2011-01-19 CN 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
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-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PDE2A 375/4885LIPG 324/4885TAS2R14 1209/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PDE2A 375/4885LIPG 324/4885TAS2R14 1209/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PDE2A 375/4885LIPG 324/4885TAS2R14 1209/4885
US-20130150339-A1 Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors SCN1A, SCN1B, CACNA1B PDE2A 1269/4885LIPG 3081/4885TAS2R14 2348/4885

“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.