SCHEMBL5454487

SCHEMBL5454487

COc1cccc2c1CN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 3/20 0.50
KCNH2 Q12809 1/20 0.49
CACNA1B Q00975 1/20 0.48
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
HRH1 P35367 1/20 0.46
DRD3 P35462 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL5446319 0.84 CACNA1B (0.50) HTR5AKCNH2CACNA1BHTR1ADRD2
SCHEMBL5456384 0.84 CACNA1B (0.55) HTR5AKCNH2CACNA1BHTR1ADRD2
SCHEMBL5467877 0.82 CYP3A4 (0.46) DRD2DRD3
SCHEMBL5448721 0.81 HTR1A (0.62) HTR5ACACNA1BHTR1ADRD2HTR2A
SCHEMBL13255040 0.80 HRH3 (0.57) DRD2DRD3HRH3
SCHEMBL5454423 0.77 DRD2 (0.50) DRD2DRD3
SCHEMBL9797314 0.76 KCNH2 (0.48) KCNH2
SCHEMBL1132759 0.76 DRD2 (0.54) DRD2DRD3HRH3
SCHEMBL5453473 0.75 KMT2A (0.53) DRD2
SCHEMBL8496974 0.75 KCNH2 (0.54) KCNH2HTR1ADRD2DRD3

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 HTR5A 639/4885KCNH2 60/4885CACNA1B 4/4885

“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.