SCHEMBL10135592

SCHEMBL10135592

CC(C)(C)OC(=O)N1CCN(Cc2ccc3cnccc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TBK1 Q9UHD2 5/20 0.48
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
IDO2 Q6ZQW0 1/20 0.47
CCNK O75909 1/20 0.46
CDK12 Q9NYV4 1/20 0.46
LTA4H P09960 2/20 0.46
NAMPT P43490 2/20 0.45

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
SCHEMBL10135662 0.96 TBK1 (0.48) GPR119MEN1KMT2ATBK1IDO1
SCHEMBL10135594 0.96 GPR119 (0.47) GPR119MEN1KMT2ATBK1IDO1
SCHEMBL17276352 0.85 FAAH (0.58) MEN1KMT2A
SCHEMBL16855862 0.85 FAAH (0.58) MEN1KMT2A
SCHEMBL10135645 0.85 GPR119 (0.47) GPR119NAMPT
SCHEMBL10135796 0.85 GPR119 (0.49) GPR119TBK1NAMPT
SCHEMBL10135625 0.83 GPR119 (0.50) GPR119TBK1NAMPT
SCHEMBL10135761 0.83 GPR119 (0.46) GPR119NAMPT
SCHEMBL1088443 0.82 GPR119 (0.59) GPR119MEN1KMT2A
SCHEMBL18024152 0.82 IDO1 (0.49) GPR119TBK1IDO1TDO2IDO2

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 2496/4885MEN1 3295/4885KMT2A 1007/4885

“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.