SCHEMBL5456541

SCHEMBL5456541

c1ccc(C(CCNCCN2CCc3ccccc3C2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.53
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ACHE P22303 1/20 0.48
ALOX15 P16050 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
KCNH2 Q12809 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL5449583 0.84 KCNH2 (0.51) KDM4EKCNH2DRD2DRD3
SCHEMBL23023062 0.78 DPP7 (0.62) HTR7KDM4EALDH1A1ACHEALOX15
SCHEMBL125814 0.78 SIGMAR1 (0.59) ALDH1A1KCNH2
SCHEMBL5454530 0.76 DRD2 (0.58) KDM4EALDH1A1DRD2HTR2A
SCHEMBL5451149 0.76 LMNA (0.61) KDM4EALDH1A1LMNAHTT
SCHEMBL128328 0.75 KCNH2 (0.49) KCNH2DRD2HTR2AHRH1DRD3
SCHEMBL128071 0.75 ACHE (0.57) KDM4EALDH1A1ACHEKCNH2LMNA
Hydrochloric Acid SCHEMBL126742 0.74 ACHE (0.56) KDM4EALDH1A1ACHEKCNH2LMNA
SCHEMBL22309882 0.74 HTR7 (0.58) HTR7KDM4EALDH1A1ACHEALOX15
SCHEMBL5448721 0.74 HTR1A (0.62) HTR7KDM4EHTTHTR1ADRD2

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 1 patent. 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

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 HTR7 692/4885KDM4E 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.