SCHEMBL4920568

SCHEMBL4920568

O=CNCCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.65
SLC6A2 P23975 4/20 0.65
HTR2A P28223 4/20 0.65
CHRM1 P11229 3/20 0.65
DRD2 P14416 3/20 0.65
ADRA2B P18089 3/20 0.65
ADRA2C P18825 3/20 0.65
CHRM3 P20309 3/20 0.65
HTR2C P28335 3/20 0.65
ADRA1A P35348 3/20 0.65
HRH1 P35367 3/20 0.65
DRD3 P35462 3/20 0.65
OPRK1 P41145 3/20 0.65
SLC6A3 Q01959 3/20 0.65
KCNH2 Q12809 3/20 0.65
CYP3A4 P08684 2/20 0.65
SLC22A2 O15244 2/20 0.65
SLC22A1 O15245 2/20 0.65
SLC22A3 O75751 2/20 0.65
CHRM2 P08172 2/20 0.65

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
SCHEMBL21245399 0.95 SLC6A4 (0.59) SLC6A4SLC6A2HTR2ACHRM1DRD2
SCHEMBL13051501 0.79 HTR2A (0.78) SLC6A4SLC6A2HTR2ACHRM1DRD2
Desipramine SCHEMBL34384 0.79 SLC6A4 (1.00) SLC6A4SLC6A2HTR2ACHRM1DRD2
Desipramine SCHEMBL29379525 0.79 SLC6A4 (1.00) SLC6A4SLC6A2HTR2ACHRM1DRD2
Desipramine SCHEMBL5072939 0.79 SLC6A4 (1.00) SLC6A4SLC6A2HTR2ACHRM1DRD2
Desipramine SCHEMBL28110431 0.79 SLC6A4 (0.78) SLC6A4SLC6A2HTR2ACHRM1DRD2
SCHEMBL1799258 0.78 HTR2A (0.56) SLC6A4SLC6A2HTR2ACHRM1DRD2
SCHEMBL13808474 0.78 SLC6A4 (0.69) SLC6A4SLC6A2HTR2ACHRM1DRD2
Desipramine SCHEMBL27517227 0.78 SLC6A4 (0.83) SLC6A4SLC6A2HTR2ACHRM1DRD2
Desipramine SCHEMBL5501781 0.78 SLC6A2 (1.00) SLC6A4SLC6A2HTR2ACHRM1DRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 US claimed
EP-1838690-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY Devgen N.V. (BE) 2007-10-03 EP claimed
WO-2006066879-A2 COMPOUNDS WITH KV4 ION CHANNEL ACTIVITY DEVGEN N.V. (BE) 2006-06-29 WO claimed
US-20080039442-A1 Compounds With Kv4 Ion Channel Activity DEVGEN NV (BE) 2008-02-14 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-20080039442-A1 Compounds With Kv4 Ion Channel Activity KCNA4, HCN4, KCNN4 SLC6A4 150/4885SLC6A2 329/4885HTR2A 2253/4885

“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.