SCHEMBL2996862

SCHEMBL2996862

O=C1CCC2N1CC(=O)N2c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NOTUM Q6P988 1/20 0.36
SRD5A1 P18405 1/20 0.36
MT-CO2 P00403 2/20 0.35
ALOX5 P09917 2/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 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
SCHEMBL3004818 0.83 TDP1 (0.39) MEN1KMT2AALDH1A1ALOX15TSHR
SCHEMBL3005542 0.83 GFER (0.40) MEN1KMT2ANOTUMSRD5A1ALOX5
SCHEMBL13794593 0.83 ESR2 (0.45) MGLLMEN1KMT2AAKR1C3AKR1C2
SCHEMBL2173054 0.83 GAA (0.41) MEN1KMT2AALOX5POLB
SCHEMBL2174285 0.83 GAA (0.41) MEN1KMT2AALOX5POLB
SCHEMBL2174275 0.83 GAA (0.41) MEN1KMT2AALOX5POLB
SCHEMBL3007209 0.83 KMT2A (0.36) MEN1KMT2AALDH1A1
SCHEMBL3006915 0.83 CA12 (0.49) MEN1KMT2AAKR1C3AKR1C2ALDH1A1
SCHEMBL3005601 0.83 ALDH1A1 (0.41) MGLLMEN1KMT2AALOX5ALDH1A1
SCHEMBL3002692 0.82 L3MBTL1 (0.50) MGLLMEN1KMT2ANOTUMALOX5

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
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-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
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-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof FARINA CARLO 2009-06-25 US disclosed
US-7544705-B2 Pyrroloimidazole derivatives, their preparation, pharmaceutical composition containing them, and their use as nootropic agents NEUROTUNE AG (CH) 2009-06-09 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
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 MGLL 2615/4885MEN1 3691/4885KMT2A 3610/4885
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof OPRL1, GRIN3B, GRIN3A MGLL 2186/4885MEN1 3590/4885KMT2A 4169/4885
US-20070027137-A1 Pyrroloimidazole derivatives, their preparation, pharmaceutical composition containing them, and their use as nootropic agents GRIN3A, GRIN1, GRIN3B MGLL 2942/4885MEN1 4719/4885KMT2A 4212/4885

“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.