SCHEMBL1020925

SCHEMBL1020925

COc1ccccc1Cc1nsc(NCCCCN)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 13/20 0.49
TAAR1 Q96RJ0 1/20 0.40
TLR7 Q9NYK1 2/20 0.40
TLR8 Q9NR97 1/20 0.40
HTR6 P50406 1/20 0.39
GRIN1 Q05586 4/20 0.39
GRIN2A Q12879 4/20 0.39
BCHE P06276 4/20 0.39
ACHE P22303 4/20 0.39
CHRM4 P08173 4/20 0.39
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL1020832 0.99 CHRM2 (0.51) CHRM2TAAR1TLR7TLR8GRIN1
SCHEMBL1020713 0.99 CHRM2 (0.51) CHRM2TAAR1TLR7TLR8GRIN1
SCHEMBL1021306 0.96 CHRM2 (0.44) CHRM2TAAR1TLR7TLR8HTR6
SCHEMBL1021201 0.92 TAAR1 (0.43) CHRM2TAAR1TLR7TLR8HTR6
SCHEMBL1020411 0.88 HTR6 (0.40) CHRM2HTR6GRIN1GRIN2ABCHE
SCHEMBL1020808 0.84 TLR8 (0.37) CHRM2TAAR1TLR7TLR8HTR6
SCHEMBL1021184 0.83 CHRM2 (0.38) CHRM2TAAR1TLR7TLR8HTR6
SCHEMBL1019285 0.83 CHRM2 (0.38) CHRM2TAAR1TLR7TLR8HTR6
SCHEMBL1019846 0.83 TLR8 (0.37) TAAR1TLR7TLR8HTR6
SCHEMBL1019974 0.83 HTR6 (0.39) TAAR1TLR7TLR8HTR6TSHR

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-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CHRM2 3891/4885TAAR1 2621/4885TLR7 4508/4885

“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.