SCHEMBL5446642

SCHEMBL5446642

O=C(CCN1CCc2cccc(O)c2C1)N1c2ccccc2Oc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
P2RX4 Q99571 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL5459349 0.89 TP53 (0.43) DRD2DRD1DRD5DRD3ALDH1A1
SCHEMBL5455428 0.85 DRD2 (0.47) DRD2DRD1DRD5DRD3HDAC1
SCHEMBL5453627 0.81 P2RX4 (0.41) ALDH1A1TP53KDM4EALOX15P2RX4
SCHEMBL5460660 0.80 TP53 (0.43) ALDH1A1LMNATP53KDM4EALOX15
SCHEMBL5460400 0.77 ALDH1A1 (0.43) ALDH1A1LMNATP53HPGDKDM4E
SCHEMBL5453600 0.74 TP53 (0.40) ALDH1A1LMNATP53MAPK1KDM4E
SCHEMBL5445274 0.74 DRD2 (0.44) DRD2HDAC1ALDH1A1TP53P2RX4
SCHEMBL5458539 0.73 ALDH1A1 (0.58) ALDH1A1TP53ALOX15HTTGRIN2D
SCHEMBL5450010 0.72 TP53 (0.40) ALDH1A1TP53KDM4EALOX15P2RX4
SCHEMBL5448632 0.72 TP53 (0.40) ALDH1A1TP53KDM4EP2RX4

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 DRD2 1065/4885DRD1 1296/4885DRD5 2136/4885

“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.