SCHEMBL2819308

SCHEMBL2819308

CCCCCc1nc(CC2CCCC2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.40
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
DRD2 P14416 2/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
CYP1A2 P05177 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ECE1 P42892 1/20 0.35
HTR6 P50406 2/20 0.34
KCNH2 Q12809 1/20 0.33
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
TLR7 Q9NYK1 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL2819181 0.83 CNR1 (0.39) SLC6A3DRD2HTR2AHRH1CNR1
SCHEMBL15215064 0.82 CYP1A2 (0.44) SLC6A3PDE4APDE4BPDE4CPDE4D
SCHEMBL3849941 0.79 SLC6A3 (0.48) SLC6A3DRD2HTR2AHRH1ECE1
SCHEMBL2821735 0.77 SLC6A3 (0.47) SLC6A3DRD2HTR2AHRH1ECE1
SCHEMBL25653945 0.77 SLC6A3 (0.50) SLC6A3DRD2HTR2AHRH1ECE1
SCHEMBL6235049 0.77 KCNH2 (0.50) SLC6A3DRD2HTR2AHRH1ECE1
SCHEMBL31317623 0.76 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1ECE1
SCHEMBL28578070 0.76 SLC6A3 (0.46) SLC6A3DRD2HTR2AHRH1ECE1
SCHEMBL9381449 0.74 SLC6A3 (0.45) SLC6A3DRD2HTR2AHRH1ECE1
SCHEMBL21699960 0.73 SLC6A3 (0.52) SLC6A3DRD2HTR2AHRH1KCNH2

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-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same DONG WHA PHARMACEUTICAL IND. CO., LTD. 2010-09-23 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-20100240890-A1 Novel benzamidine derivatives, process for the preparation thereof and pharmaceutical composition comprising the same CMA1, IL5, HRH4 SLC6A3 4768/4885PDE4A 229/4885PDE4B 113/4885

“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.