SCHEMBL1021330

SCHEMBL1021330

CCC(N)CCNc1nc(Cc2cccc(OC)c2)ns1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
NPC1 O15118 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
LTA4H P09960 1/20 0.38
DHFR P00374 1/20 0.38
PRKACA P17612 1/20 0.37
ROCK1 Q13464 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA1 P30542 2/20 0.36
LTB4R Q15722 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL1019519 0.89 NPC1 (0.42) HTR6NPC1TAAR1CHRM2CHRM1
SCHEMBL1019871 0.89 TAAR1 (0.47) HTR6NPC1TAAR1CHRM2CHRM1
SCHEMBL1021363 0.87 MAPT (0.39) HTR6NPC1TLR8TLR7LTA4H
SCHEMBL1020771 0.86 HTR6 (0.39) HTR6NPC1TAAR1TLR8TLR7
SCHEMBL1021149 0.85 NPC1 (0.41) HTR6NPC1TAAR1CHRM2CHRM1
SCHEMBL1021236 0.85 HTR6 (0.40) HTR6NPC1TAAR1TLR8TLR7
SCHEMBL1020496 0.85 TAAR1 (0.46) HTR6NPC1TAAR1CHRM2CHRM1
SCHEMBL1020717 0.84 TAAR1 (0.45) HTR6NPC1TAAR1CHRM2CHRM1
SCHEMBL1020914 0.83 CHRM2 (0.51) HTR6NPC1TAAR1CHRM2CHRM1
SCHEMBL1019075 0.83 TAAR1 (0.44) HTR6NPC1TAAR1CHRM2CHRM1

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 HTR6 2082/4885NPC1 777/4885TAAR1 2621/4885

“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.