SCHEMBL4002840

SCHEMBL4002840

OC1CCN(c2cc(Nc3ccc(OC(F)(F)F)cc3)cc(-c3ccc(F)cc3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
ABL1 P00519 16/20 0.43
GALR2 O43603 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCR P11274 2/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL4358342 0.86 ABL1 (0.56) SCN9AABL1GALR2KDM4EGAA
SCHEMBL3997867 0.86 L3MBTL1 (0.50) ABL1GALR2KDM4EMEN1KMT2A
SCHEMBL13632603 0.86 ALOX5 (0.46) SCN9AKDM4EMEN1ALDH1A1LMNA
SCHEMBL4002168 0.83 ALOX5 (0.50) ABL1BCRALOX5
SCHEMBL4138095 0.83 GALR2 (0.45) ABL1GALR2BCR
SCHEMBL3450867 0.80 GALR2 (0.51) ABL1GALR2KDM4EMEN1ALDH1A1
SCHEMBL3451194 0.76 HPGD (0.52) ABL1KDM4EMEN1ALDH1A1LMNA
SCHEMBL4132988 0.75 KDM4E (0.54) SCN9AKDM4EMEN1ALDH1A1LMNA
SCHEMBL3451806 0.74 GALR2 (0.53) ABL1GALR2KDM4EMAPTBCR
SCHEMBL4358482 0.74 ABL1 (0.58) ABL1GALR2KDM4EMAPTBCR

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 11 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
EP-1805142-A4 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS INC (US) 2009-06-10 EP disclosed
EP-1805142-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM Reddy US Therapeutics, Inc. (US) 2007-07-11 EP 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
WO-2006034474-A2 NOVEL PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM REDDY US THERAPEUTICS, INC. (US) 2006-03-30 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-20060084644-A1 Novel pyridine compounds, process for their preparation and compositions containing them LDLR, LRP6, PLPBP SCN9A 4622/4885ABL1 3158/4885GALR2 1333/4885

“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.