SCHEMBL1021141

SCHEMBL1021141

CCNCCN(CC)c1nc(Cc2ccccc2OC)ns1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 12/20 0.39
HTR6 P50406 1/20 0.35
BCHE P06276 6/20 0.35
ACHE P22303 6/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GRIN1 Q05586 4/20 0.34
GRIN2A Q12879 4/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
TP53 P04637 1/20 0.34
THPO P40225 1/20 0.34
RECQL P46063 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1020904 0.84 MEN1 (0.37) HTR6MAPK1
SCHEMBL1019432 0.82 PDE4A (0.34) TSHR
SCHEMBL1021912 0.80 NOS2 (0.41) HTR6TSHRMAPK1CYP2D6
SCHEMBL1019787 0.79 CHRM2 (0.39) CHRM2HTR6CHRM1CHRM3
SCHEMBL1020739 0.77 CHRM2 (0.38) CHRM2HTR6BCHEACHETSHR
SCHEMBL1020636 0.77 LMNA (0.36) HTR6MAPK1TDP1
SCHEMBL1020900 0.76 CNR2 (0.32) HTR6
SCHEMBL13950484 0.76 TAS2R14 (0.38) TSHRTP53RECQL
SCHEMBL1020376 0.76 TAS2R14 (0.42) TP53
SCHEMBL1022342 0.75 CNR2 (0.33) HTR6CYP1A2CYP2C19

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 3891/4885HTR6 2082/4885BCHE 1848/4885

“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.