SCHEMBL5451682

SCHEMBL5451682

O=C(CN1CCc2ccccc2C1)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
L3MBTL1 Q9Y468 4/20 0.63
MAPT P10636 3/20 0.63
POLB P06746 1/20 0.63
KDM4E B2RXH2 2/20 0.57
GAA P10253 3/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.53
GFER P55789 1/20 0.53
THRB P10828 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53

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
SCHEMBL5459268 0.90 KMT2A (0.67) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5458059 0.90 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5456538 0.87 NPC1 (0.67) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5456128 0.86 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5461342 0.85 ALDH1A1 (0.57) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5461227 0.84 POLB (0.70) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5455312 0.83 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5447851 0.82 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5458578 0.82 POLB (0.74) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5454530 0.81 DRD2 (0.58) ALDH1A1KMT2AMEN1L3MBTL1MAPT

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 489/4885KMT2A 2911/4885MEN1 2444/4885

“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.