SCHEMBL3315258

SCHEMBL3315258

CC(C)(C)OC(=O)N1CC[C@H](Sc2cc3ccncc3cc2Cl)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.44
CYP2C9 P11712 1/20 0.43
USP30 Q70CQ3 2/20 0.42
IKBKB O14920 1/20 0.40
PIK3CD O00329 1/20 0.40
DYRK1A Q13627 1/20 0.40
STS P08842 1/20 0.39
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39

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 1.00 GPR119 (0.44) GPR119CYP2C9USP30IKBKBPIK3CD
SCHEMBL3315972 0.95 GPR119 (0.47) GPR119CYP2C9IKBKBDYRK1ASTS
SCHEMBL3314946 0.80 GPR119 (0.45) GPR119CYP2C9KEAP1NFE2L2
SCHEMBL4873955 0.80 ESR2 (0.49) GPR119USP30PIK3CDSTSKEAP1
SCHEMBL4866536 0.80 ESR2 (0.49) GPR119USP30PIK3CDSTSKEAP1
SCHEMBL2683609 0.79 GPR119 (0.45) GPR119USP30STS
SCHEMBL2683606 0.79 GPR119 (0.45) GPR119USP30STS
SCHEMBL3311427 0.78 DYRK1A (0.56) GPR119USP30DYRK1ASTS
SCHEMBL3315790 0.77 AKT1 (0.35) IKBKB
SCHEMBL3315059 0.77 HRH3 (0.34) IKBKBDYRK1A

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
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

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 2080/4885CYP2C9 4205/4885USP30 3405/4885

“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.