SCHEMBL5456129

SCHEMBL5456129

c1ccc(CN(CCN2CCc3ccccc3C2)Cc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ACHE P22303 1/20 0.52
HTR7 P34969 6/20 0.50
HTR1A P08908 2/20 0.48
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
SLC6A4 P31645 2/20 0.48
HRH1 P35367 2/20 0.48
DRD3 P35462 2/20 0.48
HTR2B P41595 2/20 0.48

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
SCHEMBL5453805 0.83 DRD2 (0.44) HTR7DRD2DRD3
SCHEMBL5456360 0.82 KCNH2 (0.54) HRH3KDM4EHTR1ADRD2DRD3
SCHEMBL5673787 0.80 SIGMAR1 (0.52) HTR1ADRD2
SCHEMBL6512477 0.79 HRH3 (0.68) HRH3KDM4EALDH1A1ACHEHTR7
SCHEMBL6950556 0.78 MAOB (0.46) ACHE
SCHEMBL10039145 0.77 SIGMAR1 (0.58) HRH3
SCHEMBL15830256 0.76 PRMT5 (0.62)
SCHEMBL10978742 0.75 ACHE (0.66) KDM4EALDH1A1ACHEHRH1HTR2B
SCHEMBL31134754 0.75 ACHE (0.66) KDM4EALDH1A1ACHEHRH1HTR2B
SCHEMBL6948856 0.75 GAA (0.40) KDM4E

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 HRH3 1519/4885KDM4E 1446/4885ALDH1A1 489/4885

“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.