SCHEMBL3010180

SCHEMBL3010180

Cc1ccc(N2C(=O)CN3C(=O)CCC32)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.42
CCR2 P41597 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC8 Q9BY41 2/20 0.33
ADAMTS5 Q9UNA0 1/20 0.32
RIPK1 Q13546 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
KCNH2 Q12809 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
SCHEMBL3001897 0.87 ALDH1A1 (0.39) CCR1CCR2CYP3A4CYP2C19MAPT
SCHEMBL3001938 0.81 CCR1 (0.42) CCR1CCR2SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3004818 0.80 TDP1 (0.39) GFERMAPTSMN1; SMN2ALDH1A1
SCHEMBL2174275 0.80 GAA (0.41) CCR1CCR2RAB9A
SCHEMBL2174285 0.80 GAA (0.41) CCR1CCR2RAB9A
SCHEMBL2173054 0.80 GAA (0.41) CCR1CCR2RAB9A
SCHEMBL3008916 0.78 HTR7 (0.48)
SCHEMBL3002692 0.78 L3MBTL1 (0.50) CCR1CCR2MAPTALDH1A1L3MBTL1
SCHEMBL3006660 0.78 POLB (0.41) GFERMAPTALDH1A1HDAC1HDAC6
SCHEMBL9893163 0.77 CCR1 (0.45) CCR1CCR2CYP1A2CYP3A4CYP2C19

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 CCR1 1919/4885CCR2 1753/4885CYP1A2 929/4885
US-20090163565-A1 Compounds with nootropic action, their preperation, pharmaceutical compositions containing them, and use thereof OPRL1, GRIN3B, GRIN3A CCR1 2758/4885CCR2 2091/4885CYP1A2 658/4885
US-20070027137-A1 Pyrroloimidazole derivatives, their preparation, pharmaceutical composition containing them, and their use as nootropic agents GRIN3A, GRIN1, GRIN3B CCR1 1648/4885CCR2 1261/4885CYP1A2 1052/4885

“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.