SCHEMBL5453715

SCHEMBL5453715

COc1cccc2c1CN(C(C)C(=O)N1c3ccccc3Oc3ccccc31)CC2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
P2RX4 Q99571 5/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
DRD3 P35462 1/20 0.40
NOTUM Q6P988 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5466287 0.91 P2RX4 (0.43) GABRA1GABRG2GABRB3ALDH1A1KDM4E
SCHEMBL5445274 0.78 DRD2 (0.44) ALDH1A1KMT2AP2RX4DRD2
SCHEMBL5455428 0.77 DRD2 (0.47) ALDH1A1LMNAMAPTKMT2ADRD2
SCHEMBL27010059 0.73 DRD2 (0.54) GABRA1GABRG2GABRB3DRD2DRD1
SCHEMBL5458663 0.72 P2RX4 (0.44) ALDH1A1KDM4EP2RX4DRD2TDP1
SCHEMBL5454599 0.72 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ADRD2NOTUM
SCHEMBL5453456 0.71 DRD2 (0.40) ALDH1A1KMT2AP2RX4DRD2DRD1
SCHEMBL5460758 0.70 GABRA1 (0.48) GABRA1GABRG2GABRB3LMNAMAPT
SCHEMBL5448632 0.67 TP53 (0.40) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL14067213 0.67 PDE4D (0.59) DRD2DRD1DRD5DRD3

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 GABRA1 250/4885GABRG2 303/4885GABRB3 179/4885

“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.