SCHEMBL4132988

SCHEMBL4132988

OC1CCN(c2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
LMNA P02545 1/20 0.54
GLA P06280 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
SCN9A Q15858 4/20 0.50
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 2/20 0.46
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 1/20 0.44
DRD2 P14416 4/20 0.43
HTR2A P28223 4/20 0.43

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
SCHEMBL13621970 0.94 KDM4E (0.49) KDM4EL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL4124388 0.89 KDM4E (0.45) KDM4EL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL13632704 0.87 SCN9A (0.48) KDM4EL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL4358171 0.85 MAPT (0.45) KDM4EL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL3452757 0.85 KDM4E (0.53) KDM4EL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL3451651 0.82 MAPT (0.61) KDM4EL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL4001904 0.80 L3MBTL1 (0.56) KDM4EL3MBTL1ALDH1A1MAPTPOLB
SCHEMBL13632603 0.80 ALOX5 (0.46) KDM4EL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL3451613 0.76 HSD17B10 (0.53) KDM4EL3MBTL1ALDH1A1MAPTMEN1
SCHEMBL4002840 0.75 SCN9A (0.46) KDM4EL3MBTL1ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP claimed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP claimed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US claimed
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 WO claimed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-7622486-B2 Pyridine compounds, process for their preparation and compositions containing them REDDY US THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-04-20 US 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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP KDM4E 1937/4885L3MBTL1 4564/4885ALDH1A1 3749/4885

“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.