SCHEMBL4920571

SCHEMBL4920571

NC(=O)CCCN1c2ccccc2CCc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.65
SLC6A4 P31645 8/20 0.55
SLC6A2 P23975 5/20 0.55
CHRM1 P11229 4/20 0.55
ADRA1A P35348 4/20 0.55
DRD3 P35462 4/20 0.55
SLC6A3 Q01959 4/20 0.55
KCNH2 Q12809 4/20 0.55
CHRM2 P08172 3/20 0.55
DRD2 P14416 3/20 0.55
ADRA2B P18089 3/20 0.55
ADRA2C P18825 3/20 0.55
CHRM3 P20309 3/20 0.55
HTR2C P28335 3/20 0.55
HRH1 P35367 3/20 0.55
OPRK1 P41145 3/20 0.55
MAPT P10636 3/20 0.55
SLC22A2 O15244 2/20 0.55
SLC22A1 O15245 2/20 0.55
SLC22A3 O75751 2/20 0.55

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
SCHEMBL8025555 0.87 HTR2A (0.60) HTR2ASLC6A4SLC6A2CHRM1ADRA1A
SCHEMBL13051501 0.82 HTR2A (0.78) HTR2ASLC6A4SLC6A2CHRM1ADRA1A
SCHEMBL6419291 0.79 MEN1 (0.66) HTR2ASLC6A4SLC6A2CHRM1ADRA1A
Didesmethylimipramine SCHEMBL10376169 0.79 HTR2A (1.00) HTR2ASLC6A4SLC6A2CHRM1ADRA1A
SCHEMBL6961973 0.79 HTR2A (0.68) HTR2ASLC6A4SLC6A2CHRM1ADRA1A
SCHEMBL18350826 0.78 MEN1 (0.51) HTR2ASLC6A4SLC6A2CHRM1ADRA1A
SCHEMBL7168298 0.77 HTR2A (0.66) HTR2ASLC6A4SLC6A2CHRM1ADRA1A
SCHEMBL17390908 0.77 HTR2A (0.89) HTR2ASLC6A4SLC6A2CHRM1ADRA1A
Didesmethylimipramine SCHEMBL11388787 0.77 HTR2A (0.96) HTR2ASLC6A4SLC6A2CHRM1ADRA1A
SCHEMBL1368072 0.77 HDAC6 (0.69) HDAC1HDAC2HDAC8HDAC6

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 HTR2A 2253/4885SLC6A4 150/4885SLC6A2 329/4885

“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.