SCHEMBL5453534

SCHEMBL5453534

COc1cccc2c1CN(CC(=O)N1c3ccccc3OCC1C(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
DRD2 P14416 4/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DRD4 P21917 4/20 0.41
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL5456346 0.88 ALDH1A1 (0.52) KMT2AMEN1DRD2ALDH1A1DRD4
SCHEMBL5467743 0.88 MEN1 (0.47) KMT2AMEN1CRHBPCRHR2DRD2
SCHEMBL5453468 0.87 LMNA (0.53) KMT2ADRD2ALDH1A1GAANPSR1
SCHEMBL5456330 0.87 ALDH1A1 (0.46) DRD2ALDH1A1GAAL3MBTL1DRD4
SCHEMBL5451186 0.85 SMN1; SMN2 (0.46) KMT2AMEN1DRD2ALDH1A1GAA
SCHEMBL5453789 0.84 NPC1 (0.46) KMT2AMEN1DRD2ALDH1A1GAA
SCHEMBL5453866 0.84 SMN1; SMN2 (0.43) KMT2ADRD2ALDH1A1NPSR1DRD4
SCHEMBL5450007 0.83 DRD2 (0.45) KMT2AMEN1DRD2ALDH1A1GAA
SCHEMBL5456173 0.82 NPSR1 (0.43) KMT2AMEN1DRD2ALDH1A1GAA
SCHEMBL5461488 0.80 MAPT (0.53) KMT2ADRD2ALDH1A1DRD4POLB

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 KMT2A 2911/4885MEN1 2444/4885CRHBP 2588/4885

“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.