SCHEMBL13307993

SCHEMBL13307993

O=C(Cn1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)NC1CCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.60
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
DHODH Q02127 1/20 0.50
LMNA P02545 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
SCHEMBL13307945 0.95 CNR1 (0.59) CNR1KMT2AMEN1
SCHEMBL13307870 0.80 CNR1 (0.92) CNR1
SCHEMBL13308000 0.78 CNR1 (0.69) CNR1TSHR
SCHEMBL13307992 0.77 CNR1 (0.68) CNR1TSHR
SCHEMBL13307843 0.77 CNR1 (0.59) CNR1
SCHEMBL13307957 0.76 CNR1 (0.74) CNR1
SCHEMBL13307995 0.76 CNR1 (0.66) CNR1KMT2AMEN1SMN1; SMN2
SCHEMBL13307825 0.75 CNR1 (1.00) CNR1
SCHEMBL13307976 0.74 CNR1 (0.63) CNR1TSHR
SCHEMBL8227985 0.74 KMT2A (0.54) KMT2AMEN1NPSR1SMN1; SMN2ALDH1A1

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 1/4885KMT2A 3239/4885MEN1 2978/4885

“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.