SCHEMBL3498950

SCHEMBL3498950

CCN1C(=O)C2(CC1C)CN(C(=O)OC(C)(C)C)CCN2C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PARP1 P09874 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR2C P28335 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
STS P08842 1/20 0.37
ACHE P22303 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
SCHEMBL3497910 0.80 DDB1 (0.34) GPR119SMN1; SMN2USP30
SCHEMBL19839203 0.79 MEN1 (0.46) PDK1PDK2PDK3PDK4PARP1
SCHEMBL3498063 0.79 MEN1 (0.43) PDK1PDK2PDK3PDK4PARP1
SCHEMBL23540149 0.78 MEN1 (0.45) PARP1MEN1KMT2AHTR2CNPSR1
SCHEMBL15000930 0.77 MEN1 (0.46) PDK1PDK2PDK3PDK4PARP1
SCHEMBL31171522 0.77 NPC1 (0.43) PARP1MEN1KMT2ANPSR1HTT
SCHEMBL27254074 0.77 MEN1 (0.48) PDK1PDK2PDK3PDK4PARP1
SCHEMBL28720150 0.76 MEN1 (0.45) PDK1PDK2PDK3PDK4PARP1
SCHEMBL5928261 0.74 MEN1 (0.44) MEN1KMT2AHTTGPR119NPC1
SCHEMBL28568843 0.73 MEN1 (0.47) PDK1PDK2PDK3PDK4PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC PDK1 235/4885PDK2 668/4885PDK3 413/4885

“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.