SCHEMBL13307642

SCHEMBL13307642

CCCCOC(=O)Cn1nnc(-c2ccccc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.52
CNR1 P21554 1/20 0.48
CYP19A1 P11511 1/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL13307598 0.96 CNR1 (0.52) POLBMAPTCNR1CYP19A1L3MBTL1
SCHEMBL13307565 0.93 POLB (0.58) POLBMAPTGAAL3MBTL1MEN1
SCHEMBL13307611 0.92 CNR1 (0.48) POLBMAPTCNR1CYP19A1MEN1
SCHEMBL13307627 0.91 CNR1 (0.47) POLBMAPTCNR1CYP19A1MEN1
SCHEMBL13307625 0.91 CNR1 (0.47) POLBMAPTCNR1CYP19A1MEN1
SCHEMBL13307629 0.91 CNR1 (0.47) POLBMAPTCNR1CYP19A1MEN1
SCHEMBL13307646 0.90 POLB (0.53) POLBMAPTCYP19A1GAAL3MBTL1
SCHEMBL13307632 0.89 MAPT (0.55) POLBMAPTGAAL3MBTL1MEN1
SCHEMBL13307634 0.89 HSP90AA1 (0.46) MAPTCNR1CYP19A1L3MBTL1NPSR1
SCHEMBL13307654 0.87 POLB (0.50) POLBMAPTGAAL3MBTL1

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 POLB 4840/4885MAPT 2428/4885CNR1 1/4885

“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.