SCHEMBL1019787

SCHEMBL1019787

CCNCCN(CC)c1nc(Cc2cccc(OC)c2)ns1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR6 P50406 2/20 0.37
HTR1B P28222 1/20 0.37
POLB P06746 1/20 0.36
LTA4H P09960 1/20 0.36
DHFR P00374 1/20 0.35
LTB4R Q15722 1/20 0.35
AOC3 Q16853 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
NPC1 O15118 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 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
SCHEMBL13098771 0.92 CHRM2 (0.46) CHRM2CHRM1CHRM3HTR6HTR1B
SCHEMBL1021912 0.87 NOS2 (0.41) HTR6LTA4HAOC3NPC1
SCHEMBL1022774 0.85 L3MBTL1 (0.37) HTR6TLR8TLR7NPC1HTR2C
SCHEMBL1019432 0.84 PDE4A (0.34)
SCHEMBL1020900 0.79 CNR2 (0.32) HTR6
SCHEMBL1021141 0.79 CHRM2 (0.39) CHRM2CHRM1CHRM3HTR6
SCHEMBL1020554 0.78 CHRM2 (0.48) CHRM2CHRM1CHRM3HTR6HTR1B
SCHEMBL1022342 0.78 CNR2 (0.33) HTR6
SCHEMBL1020636 0.78 LMNA (0.36) HTR6HTR2AHTR2C
SCHEMBL1020504 0.78 MPO (0.32)

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 3891/4885CHRM1 3769/4885CHRM3 2536/4885

“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.