SCHEMBL5456360

SCHEMBL5456360

COc1ccc2c(c1)CN(CCN(Cc1ccccc1)Cc1ccccc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.54
DRD1 P21728 3/20 0.50
DRD5 P21918 3/20 0.50
DRD3 P35462 3/20 0.49
DRD4 P21917 2/20 0.49
HTR1A P08908 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM3 P20309 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2C P28335 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 2/20 0.48
KDM4E B2RXH2 1/20 0.47
DHCR7 Q9UBM7 1/20 0.47

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
SCHEMBL5463370 0.89 KCNH2 (0.47) KCNH2DRD3HTR1AHTR2BDRD2
SCHEMBL5456129 0.82 HRH3 (0.53) DRD3HTR1AHTR2BDRD2KDM4E
SCHEMBL7743687 0.79 ABCB1 (0.62) KCNH2DRD1DRD5DRD3DRD4
SCHEMBL5466340 0.79 KCNH2 (0.51) KCNH2DRD3DRD4HTR1ASIGMAR1
SCHEMBL24110647 0.76 DRD1 (0.55) DRD1DRD5DRD3SLC6A3TDP1
SCHEMBL30404333 0.76 DRD1 (0.55) DRD1DRD5DRD3SLC6A3TDP1
SCHEMBL11466104 0.76 KCNH2 (0.68) KCNH2DRD1DRD5DRD3DRD4
Hydrochloric Acid SCHEMBL9852467 0.76 GRIN1 (0.60) DRD3DRD4HTR1ASIGMAR1CHRM2
SCHEMBL7846425 0.76 SIGMAR1 (0.65) KCNH2DRD1DRD5DRD3DRD4
SCHEMBL6369606 0.74 HRH3 (0.61) KCNH2DRD1DRD5DRD3DRD4

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 KCNH2 60/4885DRD1 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.