SCHEMBL5453669

SCHEMBL5453669

O=C(CN1Cc2ccccc2C1)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 12/20 0.47
WDR77 Q9BQA1 12/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
TACR1 P25103 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL5455312 0.90 ALDH1A1 (0.58) PRMT5WDR77KMT2AMEN1ALDH1A1
SCHEMBL5454391 0.86 TACR1 (0.39) PRMT5WDR77KMT2AMEN1NPSR1
SCHEMBL5451806 0.85 CNR1 (0.56)
SCHEMBL5453644 0.83 PRMT5 (0.45) PRMT5WDR77KMT2AMEN1ALDH1A1
SCHEMBL5454266 0.80 MEN1 (0.44) PRMT5WDR77KMT2AMEN1ALDH1A1
SCHEMBL5459268 0.80 KMT2A (0.67) KMT2AMEN1ALDH1A1KDM4EL3MBTL1
SCHEMBL5451346 0.78 MEN1 (0.44) PRMT5WDR77KMT2AMEN1ALDH1A1
SCHEMBL5454530 0.77 DRD2 (0.58) PRMT5WDR77KMT2AMEN1ALDH1A1
SCHEMBL5447833 0.77 ALDH1A1 (0.65) KMT2AMEN1NPSR1ALDH1A1KDM4E
SCHEMBL5458947 0.76 TMEM97 (0.47) PRMT5WDR77KMT2AMEN1ALDH1A1

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 PRMT5 3172/4885WDR77 2213/4885KMT2A 2911/4885

“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.