SCHEMBL5463285

SCHEMBL5463285

COc1cccc2c1CN(CC(=O)NCCC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.51
MTNR1B P49286 5/20 0.51
CASR P41180 3/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 1/20 0.46
LMNA P02545 4/20 0.45
ALOX12 P18054 4/20 0.45
HTT P42858 4/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 3/20 0.43
ALPL P05186 2/20 0.43
ACACB O00763 1/20 0.43
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 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
SCHEMBL5451842 0.94 MTNR1A (0.44) MTNR1AMTNR1BCASRMEN1KMT2A
SCHEMBL5451891 0.91 MTNR1A (0.48) MTNR1AMTNR1BCASRMEN1KMT2A
SCHEMBL5453644 0.89 PRMT5 (0.45) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL5449619 0.85 CNR1 (0.47) MTNR1AMTNR1BCASRMEN1KMT2A
SCHEMBL5453861 0.85 DRD2 (0.48) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL5454399 0.84 CNR1 (0.58) MTNR1AMTNR1BCASRMEN1KMT2A
SCHEMBL5450017 0.84 KMT2A (0.52) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL5451806 0.84 CNR1 (0.56) MTNR1AMTNR1BCASRCNR1CNR2
SCHEMBL5452635 0.84 CNR1 (0.46) MTNR1AMTNR1BCASRCNR1CNR2
SCHEMBL5466197 0.83 MTNR1A (0.50) MTNR1AMTNR1BCASRKDM4E

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 MTNR1A 435/4885MTNR1B 388/4885CASR 590/4885

“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.