SCHEMBL2998036

SCHEMBL2998036

Cc1ccc(C)c(NC(=O)CN2CCCC2=O)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
POLB P06746 4/20 0.57
LMNA P02545 4/20 0.57
MAPT P10636 3/20 0.57
TP53 P04637 2/20 0.57
RAB9A P51151 2/20 0.52
ANXA2 P07355 1/20 0.52
S100A10 P60903 1/20 0.52
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
THRB P10828 1/20 0.48

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
SCHEMBL5197138 0.84 HTT (0.68) HTTPOLBLMNAMAPTALDH1A1
SCHEMBL17896872 0.81 HTT (0.71) HTTLMNAMAPTANXA2S100A10
Nefiracetam SCHEMBL135856 0.77 HTT (0.66) HTTPOLBLMNAMAPTKDM4E
SCHEMBL24177661 0.76 HTT (0.60) HTTPOLBLMNATP53RAB9A
SCHEMBL24177662 0.74 HTT (0.54) HTTPOLBLMNATP53RAB9A
SCHEMBL7437681 0.74 HTT (0.60) HTTPOLBLMNAALDH1A1
SCHEMBL2009980 0.74 MEN1 (0.72) HTTPOLBLMNAALDH1A1
SCHEMBL11391291 0.74 HTT (1.00) HTTLMNAMAPTTP53RAB9A
SCHEMBL11570308 0.72 LMNA (0.56) HTTLMNARAB9ANPC1ALDH1A1
SCHEMBL4191223 0.72 ALDH1A1 (0.60) HTTMAPTKDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173945-A1 Compounds with nootropic action, their preparation, pharmaceutical compositions containing them, and use thereof FARINA CARLO 2010-07-08 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
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 (1 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 HTT 762/4885POLB 4750/4885LMNA 3393/4885

“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.