SCHEMBL3309931

SCHEMBL3309931

CCOC(=O)CCC(=O)Nn1c(=O)c2cc(F)c(NC3CCCCC3)cc2n(C2CCCC2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 2/20 0.39
CNR2 P34972 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CASP3 P42574 5/20 0.36
BRD4 O60885 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK6 Q00534 1/20 0.36
P2RX3 P56373 1/20 0.35

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
SCHEMBL13332767 0.88 KMT2A (0.43) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL13332763 0.87 MEN1 (0.41) ALDH1A1KDM4EL3MBTL1MEN1GAA
SCHEMBL13333082 0.86 MEN1 (0.41) ALDH1A1KDM4EL3MBTL1MEN1GAA
SCHEMBL13333138 0.86 MEN1 (0.41) ALDH1A1KDM4EL3MBTL1MEN1GAA
SCHEMBL13332949 0.85 ALDH1A1 (0.42) ALDH1A1KDM4EL3MBTL1MEN1GAA
SCHEMBL13332710 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1MEN1GAA
SCHEMBL3304019 0.84 GAA (0.45) ALDH1A1L3MBTL1MEN1GAAKMT2A
SCHEMBL13333029 0.84 MEN1 (0.40) ALDH1A1KDM4EL3MBTL1MEN1GAA
SCHEMBL13332574 0.83 TNF (0.46) ALDH1A1KDM4EL3MBTL1MEN1GAA
SCHEMBL13333002 0.83 TNF (0.46) ALDH1A1KDM4EL3MBTL1MEN1GAA

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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
US-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 ALDH1A1 1350/4885KDM4E 4440/4885L3MBTL1 4825/4885

“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.