SCHEMBL137547

SCHEMBL137547

COc1ccc(CC#N)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.37
LPL P06858 5/20 0.35
LIPG Q9Y5X9 5/20 0.35
PIK3CG P48736 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
NPC1 O15118 1/20 0.34
THRB P10828 1/20 0.34
RAB9A P51151 1/20 0.34
UCHL1 P09936 1/20 0.34
EGFR P00533 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CA2 P00918 1/20 0.33
HTR7 P34969 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL7163811 0.83 NPC1 (0.34) PIK3CGPIK3CDPIK3CAPIK3CBNPC1
SCHEMBL3551522 0.82 LPL (0.41) LPLLIPGUCHL1EGFRALDH1A1
SCHEMBL2725415 0.81 TTR (0.41) LPLLIPGNPC1RAB9AUCHL1
SCHEMBL30526866 0.81 LPL (0.37) LPLLIPGUCHL1EGFRALDH1A1
SCHEMBL16235408 0.80 ESR2 (0.39) ESR2LPLLIPGKDM4EF11
SCHEMBL17364642 0.79 LPL (0.39) LPLLIPGUCHL1KDM4ETSHR
SCHEMBL1303766 0.78 AR (0.42) EGFRALDH1A1HTTKDM4E
SCHEMBL30526864 0.78 ESR2 (0.40) ESR2LPLLIPGUCHL1KDM4E
SCHEMBL30083309 0.78 AR (0.42) EGFRALDH1A1HTTKDM4E
SCHEMBL23692938 0.77 ESR2 (0.39) ESR2LPLLIPGKDM4EF11

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3272754-B1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2019-05-29 EP disclosed
EP-3272754-B1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2019-05-29 EP disclosed
EP-3272754-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2018-01-24 EP disclosed
EP-3272754-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2018-01-24 EP disclosed
EP-3064502-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2016-09-07 EP disclosed
EP-3064502-A1 IMIDAZOPYRROLIDINONE COMPOUNDS Novartis AG (CH) 2016-09-07 EP disclosed
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 EP disclosed
US-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2014-11-20 US disclosed
US-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS NOVARTIS AG (CH) 2014-11-20 US disclosed
US-8815926-B2 Substituted pyrrolo[3,4-D]imidazoles for the treatment of MDM2/4 mediated diseases NOVARTIS AG (CH) 2014-08-26 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-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
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US 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 (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-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ESR2 384/4885LPL 1024/4885LIPG 324/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 ESR2 384/4885LPL 1024/4885LIPG 324/4885
US-20140343084-A1 IMIDAZOPYRROLIDINONE COMPOUNDS MDM4, MDM2, TP53 ESR2 1056/4885LPL 4789/4885LIPG 4640/4885

“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.