SCHEMBL1252259

SCHEMBL1252259

CCc1ccc(C(=O)c2ccc(OC)cc2Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
MAPT P10636 6/20 0.53
HTT P42858 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
SLC22A12 Q96S37 3/20 0.50
GAA P10253 1/20 0.49
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
PGR P06401 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
SLC6A2 P23975 1/20 0.49
PDE4A P27815 1/20 0.49
HRH1 P35367 1/20 0.49
SLC6A3 Q01959 1/20 0.49
PDE4D Q08499 1/20 0.49
RAB9A P51151 3/20 0.49

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
SCHEMBL4968823 0.89 MAPT (0.51) MAPTHTTNPSR1LMNAALDH1A1
SCHEMBL4969219 0.87 MAPT (0.45) NPC1MAPTHTTNPSR1SLC22A12
SCHEMBL2486574 0.85 HPGD (0.68) NPC1MAPTHTTNPSR1SLC22A12
SCHEMBL29633666 0.85 HPGD (0.68) NPC1MAPTHTTNPSR1SLC22A12
SCHEMBL13193975 0.84 MAPT (0.65) NPC1MAPTHTTNPSR1GAA
SCHEMBL20157412 0.84 NPC1 (0.54) NPC1MAPTHTTNPSR1SLC22A12
SCHEMBL20157316 0.83 MAPT (0.61) NPC1MAPTHTTNPSR1LMNA
SCHEMBL4965902 0.82 ADRB2 (0.46) MAPTHTTNPSR1SLC22A12LMNA
SCHEMBL20157317 0.82 NPC1 (0.58) NPC1MAPTHTTNPSR1GAA
SCHEMBL2945284 0.81 CYP1A2 (0.71) NPC1MAPTHTTNPSR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939577-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2022-01-19 EP disclosed
EP-3939577-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2022-01-19 EP disclosed
EP-3106156-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2016-12-21 EP disclosed
EP-3106156-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2016-12-21 EP disclosed
EP-2698152-A1 Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivative Boehringer Ingelheim International GmbH (DE) 2014-02-19 EP disclosed
EP-2698152-A1 Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivative Boehringer Ingelheim International GmbH (DE) 2014-02-19 EP disclosed
US-8551957-B2 Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8551957-B2 Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-8551957-B2 Pharmaceutical composition comprising a glucopyranosyl-substituted benzene derivate BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-08 US disclosed
US-20110195917-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20100069310-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
US-20100069310-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
US-20100069310-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-18 US disclosed
EP-2079753-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE Boehringer Ingelheim International GmbH (DE) 2009-07-22 EP disclosed
WO-2009022007-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009022007-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2008101938-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-28 WO disclosed
WO-2008101938-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-28 WO disclosed
WO-2008055870-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 WO disclosed
WO-2008055870-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-15 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 (2 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-20110195917-A1 PHARMACEUTICAL COMPOSITION COMPRISING A GLUCOPYRANOSYL-SUBSTITUTED BENZENE DERIVATE DPP4, SLC5A1, DPP7 NPC1 963/4885MAPT 3750/4885HTT 2603/4885
US-20100069310-A1 GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE UGGT1, SLC5A1, SLC5A2 NPC1 311/4885MAPT 392/4885HTT 1283/4885

“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.