SCHEMBL4417009

SCHEMBL4417009

CCOC(=O)C1CCCCN1C(=O)N1CCc2cc(OC)cc(OC)c2C1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HCRTR1 O43613 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HCRTR2 O43614 3/20 0.39
FKBP1A P62942 2/20 0.39
GRIN2C Q14957 2/20 0.39
MTNR1B P49286 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL4422972 0.91 HCRTR2 (0.41) PDE4BPDE4DHCRTR2GRIN2CMTNR1B
SCHEMBL4423016 0.85 TRPV1 (0.40) PDE4BPDE4DHCRTR1HCRTR2FKBP1A
SCHEMBL4417027 0.81 MTNR1B (0.47) ALDH1A1HCRTR1MEN1KMT2AHCRTR2
SCHEMBL4418264 0.81 MTNR1B (0.52) HCRTR1MEN1KMT2AHCRTR2GRIN2C
SCHEMBL4421033 0.80 MTNR1B (0.41) MEN1KMT2AGRIN2CMTNR1BTRPV1
SCHEMBL4423047 0.79 GRIN2C (0.51) MEN1KMT2AGRIN2CMTNR1B
SCHEMBL4416192 0.78 GRIN2C (0.47) MEN1KMT2AGRIN2CMTNR1B
SCHEMBL4413447 0.78 KMT2A (0.55) PDE4BPDE4DMEN1KMT2AGRIN2C
SCHEMBL4418256 0.78 KMT2A (0.52) PDE4BPDE4DMEN1KMT2AGRIN2C
SCHEMBL4414434 0.78 PDE4B (0.39) PDE4BALDH1A1KDM4EHCRTR1HCRTR2

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
EP-1663983-B1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2009-01-21 EP disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 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-20050070570-A1 Novel potassium channels modulators HCN4, KCNA4, KCNN4 PDE4B 1553/4885PDE4D 1906/4885ALDH1A1 3171/4885

“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.