SCHEMBL3544696

SCHEMBL3544696

CCC(=O)c1nc(-c2cn(CC3CCS(=O)(=O)CC3)c3c(Cl)cccc23)ns1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.66
CNR2 P34972 1/20 0.57

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
SCHEMBL3518144 0.89 CNR1 (0.64) CNR1CNR2
SCHEMBL3520920 0.84 CNR1 (0.72) CNR1CNR2
SCHEMBL3175625 0.80 CNR1 (1.00) CNR1CNR2
SCHEMBL3525111 0.79 CNR1 (0.80) CNR1CNR2
SCHEMBL3522067 0.79 CNR1 (0.68) CNR1CNR2
SCHEMBL13255232 0.79 CNR1 (0.76) CNR1CNR2
SCHEMBL3175984 0.78 CNR1 (0.63) CNR1CNR2
SCHEMBL3661531 0.78 CNR1 (0.74) CNR1CNR2
SCHEMBL3520365 0.77 CNR1 (1.00) CNR1CNR2
SCHEMBL3520870 0.75 CNR1 (0.71) CNR1CNR2

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-7763732-B2 7-Chloro-3-({5-[N-(morpholin-1-ylcarboxamido)methyl]aminomethyl}-([1,2,4]-thiadiazol-3-yl))-1-(tetrahydropyran-4-yl)methyl-1H-indole, hydrochloride salt; treatment of pain N.V. ORGANON (NL) 2010-07-27 US disclosed
US-20090029984-A1 SYNERGISTIC COMBINATION FOR THE TREATMENT OF PAIN (CANNABINOID RECEPTOR AGONIST AND OPIOID RECEPTOR AGONIST) N.V. ORGANON (NL) 2009-01-29 US disclosed
US-20070082931-A1 Indole derivatives AKZO NOBLE N.V. (NL) 2007-04-12 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 (2 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-20070082931-A1 Indole derivatives IDO1, TPH1, IDO2 CNR1 36/4885CNR2 24/4885
US-20090029984-A1 SYNERGISTIC COMBINATION FOR THE TREATMENT OF PAIN (CANNABINOID RECEPTOR AGONIST AND OPIOID RECEPTOR AGONIST) CNR1, OPRL1, CNR2 CNR1 1/4885CNR2 3/4885

“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.