SCHEMBL5456077

SCHEMBL5456077

COc1cccc2c1CN(CC(=O)NCCCOC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 2/20 0.44
HTR2A P28223 1/20 0.44
KMT2A Q03164 1/20 0.43
LMNA P02545 4/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 2/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL5453861 0.88 DRD2 (0.48) KDM4EALDH1A1SMN1; SMN2DRD2HTR2A
SCHEMBL5451891 0.86 MTNR1A (0.48) KDM4EALDH1A1DRD2HTR2AKMT2A
SCHEMBL5449773 0.84 PRMT5 (0.49) KDM4EALDH1A1DRD2KMT2ALMNA
SCHEMBL5447909 0.83 DRD2 (0.45) KDM4EALDH1A1SMN1; SMN2DRD2KMT2A
SCHEMBL5456171 0.82 KMT2A (0.43) KDM4EALDH1A1DRD2HTR2AKMT2A
SCHEMBL5789543 0.82 KDM4E (0.52) KDM4EALDH1A1KMT2ALMNAHDAC1
SCHEMBL5447851 0.81 ALDH1A1 (0.54) KDM4EALDH1A1DRD2KMT2ALMNA
SCHEMBL5453697 0.81 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2DRD2KMT2A
SCHEMBL5445261 0.81 NPC1 (0.57) ALDH1A1DRD2KMT2APOLB
SCHEMBL5449619 0.80 CNR1 (0.47) KDM4EALDH1A1DRD2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 WO 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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A HTR1A 531/4885ADRA1D 497/4885ADRA1A 517/4885

“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.