SCHEMBL10135673

SCHEMBL10135673

C[C@H]1CN(C(=O)OC(C)(C)C)CCCCN1Cc1ccc2cnccc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.47
CYP2C9 P11712 1/20 0.45
TBK1 Q9UHD2 1/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
NAMPT P43490 2/20 0.41
PREP P48147 1/20 0.40
PRMT3 O60678 2/20 0.39
CHRM2 P08172 1/20 0.39
PIM1 P11309 1/20 0.39
ACHE P22303 1/20 0.39
SLC6A2 P23975 1/20 0.39
MLLT3 P42568 1/20 0.39
MLLT1 Q03111 1/20 0.39
TRIB2 Q92519 1/20 0.39
HRH3 Q9Y5N1 1/20 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
SCHEMBL10135733 0.99 GPR119 (0.46) GPR119CYP2C9TBK1KDM4EPOLB
SCHEMBL10135696 0.99 GPR119 (0.46) GPR119CYP2C9TBK1KDM4EPOLB
SCHEMBL10135633 0.98 GPR119 (0.47) GPR119CYP2C9TBK1KDM4EPOLB
SCHEMBL10135623 0.98 GPR119 (0.47) GPR119CYP2C9TBK1KDM4EPOLB
SCHEMBL10135625 0.94 GPR119 (0.50) GPR119CYP2C9TBK1NAMPT
SCHEMBL10135796 0.93 GPR119 (0.49) GPR119CYP2C9TBK1NAMPT
SCHEMBL10135791 0.90 GPR119 (0.47) GPR119CYP2C9TBK1NAMPT
SCHEMBL10135769 0.90 GPR119 (0.43) GPR119CYP2C9KDM4EPOLBNAMPT
SCHEMBL10135789 0.90 GPR119 (0.43) GPR119CYP2C9KDM4EPOLBNAMPT
SCHEMBL10135691 0.88 CYP2C9 (0.43) GPR119CYP2C9NAMPTPREPPRMT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 US disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 GPR119 2496/4885CYP2C9 1512/4885TBK1 1736/4885

“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.