SCHEMBL10135800

SCHEMBL10135800

C[C@H]1CN(C(=O)CNC(=O)OC(C)(C)C)CCCN1Cc1ccc2cnccc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 13/20 0.47
MMP1 P03956 2/20 0.43
MMP13 P45452 2/20 0.43
MMP9 P14780 1/20 0.43
ADAM17 P78536 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CYP2C9 P11712 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
CHRM2 P08172 1/20 0.38
PIM1 P11309 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
MLLT3 P42568 1/20 0.38
MLLT1 Q03111 1/20 0.38
TRIB2 Q92519 1/20 0.38

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
SCHEMBL10135807 0.98 PRMT3 (0.47) PRMT3MMP1MMP13MMP9ADAM17
SCHEMBL10135623 0.87 GPR119 (0.47) PRMT3CYP2C9HRH3CHRM2PIM1
SCHEMBL10135633 0.87 GPR119 (0.47) PRMT3CYP2C9HRH3CHRM2PIM1
SCHEMBL10135673 0.85 GPR119 (0.47) PRMT3CYP2C9HRH3CHRM2PIM1
SCHEMBL10135798 0.84 PRMT3 (0.52) PRMT3SIGMAR1
SCHEMBL10135733 0.84 GPR119 (0.46) PRMT3CYP2C9
SCHEMBL10135696 0.84 GPR119 (0.46) PRMT3CYP2C9
SCHEMBL10135809 0.84 PRMT3 (0.48) PRMT3HRH3CHRM2PIM1ACHE
SCHEMBL10135808 0.83 PRMT3 (0.49) PRMT3CYP2C9HRH3CHRM2PIM1
SCHEMBL10135802 0.82 PRMT3 (0.43) PRMT3HRH3CHRM2PIM1ACHE

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 237/4885MMP1 4000/4885MMP13 4729/4885

“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.