SCHEMBL5451758

SCHEMBL5451758

COc1cccc2c1CN(CC(=O)N1CC(c3nnc(C)o3)Oc3ccccc31)CC2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 3/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 2/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5460394 0.80 KMT2A (0.50) ALDH1A1MAPTHSD17B10KMT2ADRD2
SCHEMBL5454599 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10KMT2ADRD2DRD4
SCHEMBL5461488 0.78 MAPT (0.53) ALDH1A1MAPTHSD17B10LMNAKMT2A
SCHEMBL5445274 0.75 DRD2 (0.44) ALDH1A1KMT2ADRD2DRD4
SCHEMBL5451078 0.72 TP53 (0.54) ALDH1A1KMT2ADRD2MEN1KDM4E
SCHEMBL5456346 0.72 ALDH1A1 (0.52) ALDH1A1KMT2ADRD2DRD4MEN1
SCHEMBL5456330 0.71 ALDH1A1 (0.46) ALDH1A1DRD2DRD4GAA
SCHEMBL5453468 0.71 LMNA (0.53) ALDH1A1MAPTLMNAKMT2ADRD2
SCHEMBL5453534 0.70 KMT2A (0.45) ALDH1A1KMT2ADRD2DRD4MEN1
SCHEMBL5453890 0.70 KMT2A (0.45) ALDH1A1MAPTTSHRKMT2AMEN1

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 ALDH1A1 489/4885MAPT 2361/4885TSHR 4193/4885

“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.