SCHEMBL5527469

SCHEMBL5527469

N#Cc1cc(OC2CCN(Cc3ccccc3)CC2)c2cccc(F)c2n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
SCN1A P35498 4/20 0.45
SCN8A Q9UQD0 4/20 0.45
ROCK1 Q13464 2/20 0.45
ROCK2 O75116 1/20 0.45
CCR2 P41597 1/20 0.45
ACHE P22303 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MCHR1 Q99705 2/20 0.43
OPRK1 P41145 1/20 0.43
NSD2 O96028 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL8230267 0.88 HRH3 (0.52) HRH3SCN1ASCN8AROCK1ROCK2
SCHEMBL5524457 0.86 HRH3 (0.58) HRH3ROCK1ROCK2CCR2ACHE
SCHEMBL5526683 0.85 SCN1A (0.50) SCN1ASCN8AROCK1ROCK2CCR2
SCHEMBL5529114 0.83 SCN1A (0.47) SCN1ASCN8AROCK1ROCK2CCR2
SCHEMBL8085163 0.82 SCN1A (0.47) SCN1ASCN8AROCK1ROCK2CCR2
SCHEMBL4245768 0.80 NPC1 (0.48) HRH3SCN1ASCN8AROCK1ROCK2
SCHEMBL8100160 0.78 HTR1A (0.45) HRH3SCN1ASCN8AROCK1ROCK2
SCHEMBL8088026 0.77 HTR2C (0.40) SCN1ASCN8AACHE
SCHEMBL4246391 0.77 SCN1A (0.42) HRH3SCN1ASCN8ASMN1; SMN2GAA
SCHEMBL13945390 0.76 AR (0.39) HRH3SCN1ASCN8AKCNH2

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-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 US disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 HRH3 1454/4885SCN1A 89/4885SCN8A 103/4885

“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.