SCHEMBL13307643

SCHEMBL13307643

CCCCOC(=O)Cn1nnc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
MIF P14174 1/20 0.45
HSP90AA1 P07900 5/20 0.45
HSP90B1 P14625 2/20 0.44
TRAP1 Q12931 2/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PTGS2 P35354 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 1/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL13307632 0.96 MAPT (0.55) MAPTPOLBKMT2AMEN1PTGS2
SCHEMBL13307598 0.88 CNR1 (0.52) MAPTPOLBHSP90AA1HSP90B1TRAP1
SCHEMBL13307683 0.88 LMNA (0.47) MAPTPOLBHSP90AA1HSP90B1TRAP1
SCHEMBL13307565 0.88 POLB (0.58) MAPTPOLBHSP90AA1KMT2AMEN1
SCHEMBL13307700 0.88 NPC1 (0.46) MAPTPOLBHSP90AA1HSP90B1TRAP1
SCHEMBL13307639 0.85 TRPM2 (0.47) MAPTPOLBHSP90AA1HSP90B1TRAP1
SCHEMBL13307646 0.85 POLB (0.53) MAPTPOLBHSP90AA1KMT2AMEN1
SCHEMBL13307611 0.85 CNR1 (0.48) MAPTPOLBHSP90AA1HSP90B1TRAP1
SCHEMBL13307642 0.84 POLB (0.52) MAPTPOLBHSP90AA1KMT2AMEN1
SCHEMBL13307627 0.84 CNR1 (0.47) MAPTPOLBHSP90AA1HSP90B1TRAP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293773-B2 1, 2, 3-triazole derivatives as new cannabinoid-1 receptor antagonists NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-23 US disclosed
US-8293773-B2 1, 2, 3-triazole derivatives as new cannabinoid-1 receptor antagonists NATIONAL TSING HUA UNIVERSITY (TW) 2012-10-23 US disclosed
US-20100144734-A1 1, 2, 3-Triazole derivatives as new cannabinoid-1 receptor antagonists NATIONAL TSING HUA UNIVERSITY (TW) 2010-06-10 US disclosed
US-20100144734-A1 1, 2, 3-Triazole derivatives as new cannabinoid-1 receptor antagonists NATIONAL TSING HUA UNIVERSITY (TW) 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-20100144734-A1 1, 2, 3-Triazole derivatives as new cannabinoid-1 receptor antagonists CNR1, CNR2, GPR3 MAPT 2428/4885POLB 4840/4885MIF 4485/4885

“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.