SCHEMBL2201352

SCHEMBL2201352

CC1(C)COC(c2cnc3cc(O)ccc3c2)=N1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.52
PDGFRB P09619 2/20 0.49
PDGFRA P16234 2/20 0.49
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
CYP2D6 P10635 1/20 0.38
FTO Q9C0B1 1/20 0.36
ABL1 P00519 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
APP P05067 1/20 0.34
ESR1 P03372 1/20 0.33

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
SCHEMBL2202393 0.82 KDM4E (0.49) PDGFRBPDGFRAKDM4ELMNAMAPT
SCHEMBL2201831 0.82 PDGFRB (0.53) PDGFRBPDGFRAKDM4EHRH3
SCHEMBL8901428 0.80 ESR1 (0.50) ESR2KDM4ELMNAMAPTHTT
SCHEMBL2088974 0.75 KDM4E (0.51) ESR2KDM4ELMNAMAPTHTT
SCHEMBL2201537 0.73 HRH3 (0.43) KDM4ELMNAMAPTHTTHRH3
SCHEMBL6188610 0.73 LMNA (0.47) KDM4ELMNAMAPTHTTHRH3
SCHEMBL4748328 0.73 KDM4E (0.54) KDM4ELMNAMAPTHTTHRH3
SCHEMBL6858543 0.71 KDM4E (0.39) KDM4ELMNAMAPTHTTHRH3
SCHEMBL6300425 0.70 RAB9A (0.54) KDM4ELMNAMAPTHTTHRH3
SCHEMBL3017525 0.70 ESR2 (1.00) ESR2PDGFRBPDGFRAFTOMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868998-B1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS VFP THERAPIES (FR) 2016-05-25 EP disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
EP-1868998-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS Insa Rouen (FR) 2007-12-26 EP disclosed
EP-1731507-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents Institut National des Sciences Appliquees de Rouen (INSA) (FR) 2006-12-13 EP disclosed
WO-2006103120-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2006-10-05 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-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP ESR2 1693/4885PDGFRB 4730/4885PDGFRA 4457/4885

“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.