SCHEMBL5445261

SCHEMBL5445261

COc1cccc2c1CN(CC(=O)NC(C)c1ccccc1)CC2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
ACACB O00763 4/20 0.56
ALDH1A1 P00352 1/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
GFER P55789 1/20 0.56
HCRTR1 O43613 1/20 0.52
HCRTR2 O43614 1/20 0.52
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 3/20 0.49
DRD2 P14416 1/20 0.47

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
SCHEMBL5447851 0.90 ALDH1A1 (0.54) ACACBALDH1A1KMT2AMEN1MAPT
SCHEMBL5449773 0.86 PRMT5 (0.49) ALDH1A1KMT2AMEN1POLBDRD2
SCHEMBL5451891 0.85 MTNR1A (0.48) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL5456538 0.84 NPC1 (0.67) NPC1ALDH1A1KMT2AMEN1GFER
SCHEMBL5453861 0.83 DRD2 (0.48) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL5456171 0.83 KMT2A (0.43) ACACBALDH1A1KMT2AMEN1POLB
SCHEMBL5460738 0.83 CNR1 (0.51) ACACBALDH1A1KMT2AMEN1MAPT
SCHEMBL5453473 0.82 KMT2A (0.53) ACACBALDH1A1KMT2AMEN1POLB
SCHEMBL5753631 0.81 DRD2 (0.53) ACACBKMT2AMEN1POLBDRD2
SCHEMBL5447909 0.81 DRD2 (0.45) ALDH1A1KMT2AMEN1MAPTL3MBTL1

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 NPC1 608/4885ACACB 3033/4885ALDH1A1 489/4885

“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.