SCHEMBL3315972

SCHEMBL3315972

CC(C)(C)OC(=O)N1CCC(Sc2cc3ccncc3cc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.47
DYRK1A Q13627 1/20 0.42
CYP2C9 P11712 2/20 0.42
STS P08842 1/20 0.41
KEAP1 Q14145 2/20 0.41
NFE2L2 Q16236 2/20 0.41
IKBKB O14920 1/20 0.41
NAMPT P43490 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3315269 0.95 GPR119 (0.44) GPR119DYRK1ACYP2C9STSKEAP1
SCHEMBL3315258 0.95 GPR119 (0.44) GPR119DYRK1ACYP2C9STSKEAP1
SCHEMBL3314946 0.85 GPR119 (0.45) GPR119CYP2C9KEAP1NFE2L2NAMPT
SCHEMBL3311427 0.81 DYRK1A (0.56) GPR119DYRK1ASTSNAMPT
Trifluoroacetic Acid SCHEMBL3315719 0.81 GPR119 (0.41) GPR119CYP2C9KEAP1NFE2L2NAMPT
SCHEMBL3313788 0.79 GPR119 (0.40) GPR119CYP2C9NAMPT
SCHEMBL4869991 0.78 ESR2 (0.51) GPR119STSKEAP1NFE2L2KMT2A
SCHEMBL3311776 0.77 AKT1 (0.36) IKBKBNAMPTMEN1KMT2A
SCHEMBL3315006 0.77 HRH3 (0.39) DYRK1AIKBKBNAMPT
SCHEMBL23360301 0.76 IKBKB (0.54) GPR119DYRK1AIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-8748614-B2 Substituted isoquinoline and isoquinolinone derivatives SANOFI (FR) 2014-06-10 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
US-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives SANOFI-AVENTIS (FR) 2010-04-29 US disclosed
EP-2114920-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-11 EP disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE 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-20100105650-A1 Substituted isoquinoline and isoquinolinone derivatives MYLK2, MYLK, MYLK3 GPR119 2080/4885DYRK1A 1994/4885CYP2C9 4205/4885

“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.