SCHEMBL3498489

SCHEMBL3498489

CCOC(=O)C1(CCCC#N)CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
CTSK P43235 1/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL3498221 0.94 L3MBTL1 (0.42) CYP4F2CYP4A11L3MBTL1KMT2AMEN1
SCHEMBL3495384 0.87 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL20503060 0.85 L3MBTL1 (0.45) CYP4F2CYP4A11L3MBTL1KMT2AMEN1
SCHEMBL5428070 0.84 CYP4F2 (0.46) CYP4F2CYP4A11L3MBTL1KMT2AMEN1
SCHEMBL550869 0.83 L3MBTL1 (0.46) CYP4F2CYP4A11L3MBTL1KMT2AMEN1
SCHEMBL2888789 0.83 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL21238956 0.82 MEN1 (0.42) CYP4F2CYP4A11KMT2AMEN1ALDH1A1
SCHEMBL21749176 0.82 L3MBTL1 (0.46) CYP4F2CYP4A11L3MBTL1KMT2AMEN1
SCHEMBL17082035 0.81 L3MBTL1 (0.42) CYP4F2CYP4A11L3MBTL1KMT2AMEN1
SCHEMBL4569993 0.81 L3MBTL1 (0.42) CYP4F2CYP4A11L3MBTL1KMT2AMEN1

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 5 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
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 CYP4F2 1426/4885CYP4A11 228/4885L3MBTL1 1920/4885

“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.