SCHEMBL10135689

SCHEMBL10135689

CC(C)(C)OC(=O)N1CCCN(Cc2ccc3cnccc3c2)[C@H](CF)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.43
GPR119 Q8TDV5 7/20 0.39
NAMPT P43490 5/20 0.39
PRMT3 O60678 2/20 0.38
DYRK1A Q13627 1/20 0.37
PRMT5 O14744 1/20 0.37
PREP P48147 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL10135691 0.98 CYP2C9 (0.43) CYP2C9GPR119NAMPTPRMT3DYRK1A
SCHEMBL10135650 0.92 CYP2C9 (0.44) CYP2C9GPR119NAMPTPRMT3PRMT5
SCHEMBL10135623 0.88 GPR119 (0.47) CYP2C9GPR119NAMPTPRMT3
SCHEMBL10135633 0.88 GPR119 (0.47) CYP2C9GPR119NAMPTPRMT3
SCHEMBL10135673 0.86 GPR119 (0.47) CYP2C9GPR119NAMPTPRMT3PREP
SCHEMBL10135696 0.85 GPR119 (0.46) CYP2C9GPR119NAMPTPRMT3PREP
SCHEMBL10135733 0.85 GPR119 (0.46) CYP2C9GPR119NAMPTPRMT3PREP
SCHEMBL10135867 0.84 CYP2C9 (0.45) CYP2C9GPR119NAMPTPRMT3USP30
SCHEMBL10135789 0.84 GPR119 (0.43) CYP2C9GPR119NAMPTDYRK1A
SCHEMBL10135769 0.84 GPR119 (0.43) CYP2C9GPR119NAMPTDYRK1A

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 CYP2C9 1512/4885GPR119 2496/4885NAMPT 2732/4885

“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.