SCHEMBL3003045

SCHEMBL3003045

CCOC(=O)c1ccc(N2C(=O)CN3C(=O)CCC32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HTT P42858 4/20 0.48
HPGD P15428 2/20 0.48
HSP90AA1 P07900 2/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 2/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
P2RX3 P56373 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
IDO1 P14902 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.44

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
SCHEMBL28223403 0.80 ALDH1A1 (0.52) ALDH1A1HTTHPGDHSP90AA1CACNA1B
SCHEMBL2173054 0.79 GAA (0.41) GAAMEN1KMT2ALMNAPOLB
SCHEMBL13794593 0.76 ESR2 (0.45) ALDH1A1HSP90AA1NPSR1TDP1MAPK1
SCHEMBL2999626 0.75 PRMT5 (0.34) P2RX3AKR1C3AKR1C2
SCHEMBL18795066 0.74 ALDH1A1 (0.47) ALDH1A1HTTHPGDHSP90AA1CACNA1B
SCHEMBL7431121 0.71 HTT (0.57) ALDH1A1HTTHPGDHSP90AA1CACNA1B
SCHEMBL11381594 0.70 HTT (0.59) ALDH1A1HTTHPGDHSP90AA1CACNA1B
SCHEMBL382812 0.70 ALDH1A1 (0.52) ALDH1A1HTTHPGDHSP90AA1CACNA1B
SCHEMBL16479353 0.70 HTT (0.55) ALDH1A1HTTHPGDHSP90AA1CACNA1B
SCHEMBL9829081 0.69 ALDH1A1 (0.55) ALDH1A1HTTHPGDHSP90AA1CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544705-B2 Pyrroloimidazole derivatives, their preparation, pharmaceutical composition containing them, and their use as nootropic agents NEUROTUNE AG (CH) 2009-06-09 US claimed
EP-1608655-B8 PYRROLOIMIDAZOLE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS NOOTROPIC AGENTS BRANE DISCOVERY SRL IN LIQUIDA (IT) 2008-10-15 EP claimed
EP-1608655-B1 PYRROLOIMIDAZOLE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS NOOTROPIC AGENTS NIKEM RESEARCH SRL (IT) 2008-07-16 EP claimed
US-20070027137-A1 Pyrroloimidazole derivatives, their preparation, pharmaceutical composition containing them, and their use as nootropic agents NEUROTUNE AG (CH) 2007-02-01 US claimed
EP-1608655-A2 PYRROLOIMIDAZOLE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS NOOTROPIC AGENTS NIKEM RESEARCH S.R.L. (IT) 2005-12-28 EP claimed
WO-2004085438-A2 PYRROLOIMIDAZOLE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS NOOTROPIC AGENTS NIKEM RESEARCH S.R.L. (IT) 2004-10-07 WO claimed
US-20100173945-A1 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof FARINA CARLO 2010-07-08 US disclosed
US-20100173945-A1 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof FARINA CARLO 2010-07-08 US disclosed
US-20100173945-A1 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof FARINA CARLO 2010-07-08 US disclosed
US-7732473-B2 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof NEUROTUNE AG (CH) 2010-06-08 US disclosed
US-7732473-B2 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof NEUROTUNE AG (CH) 2010-06-08 US disclosed
US-7732473-B2 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof NEUROTUNE AG (CH) 2010-06-08 US disclosed
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof FARINA CARLO 2009-06-25 US disclosed
EP-1608655-B8 PYRROLOIMIDAZOLE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS NOOTROPIC AGENTS BRANE DISCOVERY SRL IN LIQUIDA (IT) 2008-10-15 EP disclosed
EP-1608655-B1 PYRROLOIMIDAZOLE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS NOOTROPIC AGENTS NIKEM RESEARCH SRL (IT) 2008-07-16 EP disclosed
US-20070027137-A1 Pyrroloimidazole derivatives, their preparation, pharmaceutical composition containing them, and their use as nootropic agents NEUROTUNE AG (CH) 2007-02-01 US disclosed
US-20070027137-A1 Pyrroloimidazole derivatives, their preparation, pharmaceutical composition containing them, and their use as nootropic agents NEUROTUNE AG (CH) 2007-02-01 US disclosed
US-20070027137-A1 Pyrroloimidazole derivatives, their preparation, pharmaceutical composition containing them, and their use as nootropic agents NEUROTUNE AG (CH) 2007-02-01 US disclosed
EP-1608655-A2 PYRROLOIMIDAZOLE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE AS NOOTROPIC AGENTS NIKEM RESEARCH S.R.L. (IT) 2005-12-28 EP disclosed
WO-2004085438-A2 PYRROLOIMIDAZOLE DERIVATIVES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS NOOTROPIC AGENTS NIKEM RESEARCH S.R.L. (IT) 2004-10-07 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-20100173945-A1 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof GRIN3B, GRIN3A, GRIN1 ALDH1A1 1894/4885HTT 762/4885HPGD 542/4885
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof OPRL1, GRIN3B, GRIN3A ALDH1A1 1813/4885HTT 1103/4885HPGD 358/4885
US-20070027137-A1 Pyrroloimidazole derivatives, their preparation, pharmaceutical composition containing them, and their use as nootropic agents GRIN3A, GRIN1, GRIN3B ALDH1A1 2970/4885HTT 522/4885HPGD 405/4885

“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.