SCHEMBL1705737

SCHEMBL1705737

N[C@H]1CC[C@@H](Oc2ccc3cnccc3c2-c2ccccn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.39
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
PIM3 Q86V86 1/20 0.37
IKBKB O14920 3/20 0.35
CHUK O15111 2/20 0.35
ROCK1 Q13464 2/20 0.35
LCK P06239 1/20 0.35
PDE4A P27815 1/20 0.35
ALOX5AP P20292 2/20 0.35
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
ROCK2 O75116 1/20 0.33
AXL P30530 2/20 0.33
TYRO3 Q06418 2/20 0.33
MERTK Q12866 2/20 0.33
KCNA3 P22001 1/20 0.33
CDK4 P11802 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
SCHEMBL1705736 1.00 FEN1 (0.39) FEN1PIM1PIM2PIM3IKBKB
SCHEMBL1705174 0.86 IKBKB (0.44) FEN1PIM1PIM2PIM3IKBKB
SCHEMBL1705173 0.86 IKBKB (0.44) FEN1PIM1PIM2PIM3IKBKB
SCHEMBL1705287 0.83 PIM1 (0.39) FEN1PIM1PIM2PIM3IKBKB
SCHEMBL1705286 0.83 PIM1 (0.39) FEN1PIM1PIM2PIM3IKBKB
SCHEMBL1705031 0.82 MKNK1 (0.41) FEN1PIM1PIM2PIM3IKBKB
SCHEMBL1705030 0.82 MKNK1 (0.41) FEN1PIM1PIM2PIM3IKBKB
SCHEMBL1705188 0.80 PIM1 (0.40) FEN1PIM1PIM2PIM3IKBKB
SCHEMBL1705187 0.80 PIM1 (0.40) FEN1PIM1PIM2PIM3IKBKB
SCHEMBL1704997 0.78 PRKCZ (0.40) FEN1PIM1PIM2PIM3IKBKB

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-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 EP claimed
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 US disclosed
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 US disclosed
US-8710228-B2 Cycloalkylamine substituted isoquinoline derivatives SANOFI (FR) 2014-04-29 US disclosed
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 EP disclosed
EP-2125746-B1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI SA (FR) 2012-04-18 EP disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 US disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 US disclosed
US-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives SANOFI-AVENTIS (FR) 2010-04-01 US disclosed
EP-2125746-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES Sanofi-Aventis (FR) 2009-12-02 EP disclosed
WO-2008077554-A1 CYCLOALKYLAMINE SUBSTITUTED ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 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-20100081671-A1 Cycloalkylamine substituted isoquinoline derivatives MYLK2, MYLK, MYLK3 FEN1 2564/4885PIM1 2573/4885PIM2 2061/4885

“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.