SCHEMBL5454399

SCHEMBL5454399

COc1ccc(C(CCNC(=O)CN2Cc3ccccc3C2)c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.58
CNR2 P34972 1/20 0.58
CASR P41180 3/20 0.54
MTNR1A P48039 5/20 0.52
MTNR1B P49286 5/20 0.52
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.47
HSD17B10 Q99714 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL5453708 0.92 POLB (0.55) CNR1CNR2CASRMEN1KMT2A
SCHEMBL5451806 0.88 CNR1 (0.56) CNR1CNR2CASRMTNR1AMTNR1B
SCHEMBL5463285 0.84 MTNR1A (0.51) CNR1CNR2CASRMTNR1AMTNR1B
SCHEMBL5451818 0.82 MTNR1A (0.52) CNR1CNR2CASRMTNR1AMTNR1B
SCHEMBL5449619 0.82 CNR1 (0.47) CNR1CNR2CASRMTNR1AMTNR1B
SCHEMBL5446508 0.82 MTNR1B (0.53) CNR1CNR2CASRMTNR1AMTNR1B
SCHEMBL5454530 0.80 DRD2 (0.58) CNR1MEN1KMT2APOLBPRMT5
SCHEMBL5451842 0.78 MTNR1A (0.44) CNR1CNR2CASRMTNR1AMTNR1B
SCHEMBL5451891 0.78 MTNR1A (0.48) CNR1CNR2CASRMTNR1AMTNR1B
SCHEMBL5452635 0.76 CNR1 (0.46) CNR1CNR2CASRMTNR1AMTNR1B

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 CNR1 336/4885CNR2 463/4885CASR 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.