SCHEMBL10135808

SCHEMBL10135808

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 8/20 0.49
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
CHRM2 P08172 1/20 0.36
PIM1 P11309 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.36
MLLT3 P42568 1/20 0.36
MLLT1 Q03111 1/20 0.36
TRIB2 Q92519 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GPR119 Q8TDV5 3/20 0.35
CYP2C9 P11712 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
GPR4 P46093 1/20 0.34
CYP19A1 P11511 1/20 0.33
CYP2D6 P10635 2/20 0.33
CCR3 P51677 2/20 0.33
LTA4H P09960 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
SCHEMBL10135673 0.86 GPR119 (0.47) PRMT3KDM4EPOLBCHRM2PIM1
SCHEMBL10135696 0.85 GPR119 (0.46) PRMT3KDM4EPOLBGPR119CYP2C9
SCHEMBL10135733 0.85 GPR119 (0.46) PRMT3KDM4EPOLBGPR119CYP2C9
SCHEMBL10135633 0.84 GPR119 (0.47) PRMT3KDM4EPOLBCHRM2PIM1
SCHEMBL10135623 0.84 GPR119 (0.47) PRMT3KDM4EPOLBCHRM2PIM1
SCHEMBL10135807 0.84 PRMT3 (0.47) PRMT3CHRM2PIM1ACHESLC6A2
SCHEMBL10135800 0.83 PRMT3 (0.47) PRMT3CHRM2PIM1ACHESLC6A2
SCHEMBL566387 0.82 PRMT3 (0.49) PRMT3GPR119
SCHEMBL10135806 0.81 PRMT3 (0.43) PRMT3KDM4EPOLBCHRM2PIM1
SCHEMBL10135625 0.81 GPR119 (0.50) GPR119CYP2C9TBK1

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 PRMT3 237/4885KDM4E 2806/4885POLB 3646/4885

“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.