SCHEMBL593752

SCHEMBL593752

COc1ccc(C(F)(F)F)cc1-c1nn(CCCCC(F)(F)F)c2ccccc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
BUB1 O43683 1/20 0.38
CNR2 P34972 4/20 0.38
GCGR P47871 2/20 0.38
HIF1A Q16665 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
KIF11 P52732 1/20 0.35
ABHD6 Q9BV23 1/20 0.34
MAT2A P31153 1/20 0.34
PTGS2 P35354 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
GSK3B P49841 1/20 0.34
SGMS1 Q86VZ5 1/20 0.34

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
SCHEMBL14852757 0.90 NR3C1 (0.41) PTGDR2CNR2PDE4APDE4BPDE4C
SCHEMBL593848 0.87 NR3C1 (0.41) PTGDR2PDE4APDE4BPDE4CPDE4D
SCHEMBL594092 0.81 NR3C1 (0.40) PTGDR2
SCHEMBL593602 0.80 LMNA (0.46) PTGDR2CNR2
SCHEMBL1977509 0.77 BUB1 (0.45) PTGDR2BUB1GCGR
SCHEMBL592810 0.75 SCN5A (0.37) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL1491875 0.72 CNR2 (0.39) CNR2
SCHEMBL594869 0.72 CNR2 (0.52) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL594004 0.72 SCN5A (0.37) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL1551844 0.72 MEN1 (0.42) PTGDR2BUB1

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-2417111-B1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI SA (FR) 2014-06-04 EP claimed
US-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-05-24 US claimed
EP-2417111-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-02-15 EP claimed
WO-2010116084-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI-AVENTIS (FR) 2010-10-14 WO claimed
EP-2417111-B1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI SA (FR) 2014-06-04 EP disclosed
US-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME SANOFI (FR) 2012-05-24 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-20120129864-A1 SUBSTITUTED 1-ALKYLCINNOLIN-4(1H)-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION OF SAME ALK, CBR1, CBR3 PTGDR2 2309/4885BUB1 538/4885CNR2 57/4885

“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.