SCHEMBL13307992

SCHEMBL13307992

CC1CCCCC1NC(=O)Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 14/20 0.68
TSHR P16473 1/20 0.62
CNR2 P34972 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
TAS1R2 Q8TE23 1/20 0.50

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
SCHEMBL13308036 0.96 CNR1 (0.73) CNR1TSHRCNR2TAS1R3TAS1R1
SCHEMBL13308000 0.89 CNR1 (0.69) CNR1TSHRCNR2
SCHEMBL13307870 0.86 CNR1 (0.92) CNR1CNR2
SCHEMBL13307976 0.85 CNR1 (0.63) CNR1TSHRCNR2
SCHEMBL13307957 0.84 CNR1 (0.74) CNR1CNR2
SCHEMBL13307825 0.81 CNR1 (1.00) CNR1CNR2
SCHEMBL13308040 0.79 CNR1 (0.80) CNR1CNR2
SCHEMBL13307993 0.77 CNR1 (0.60) CNR1TSHR
SCHEMBL13307879 0.76 CNR1 (0.64) CNR1CNR2
SCHEMBL13307945 0.76 CNR1 (0.59) CNR1

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 CNR1 1/4885TSHR 722/4885CNR2 2/4885

“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.