SCHEMBL3520547

SCHEMBL3520547

CCc1cccc2c(-c3nsc(CN(C)CC(O)CO)n3)cn(CC3CCOCC3)c12

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.66
KCNH2 Q12809 1/20 0.52
CNR2 P34972 1/20 0.51

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
SCHEMBL13255230 0.86 CNR1 (0.84) CNR1KCNH2CNR2
SCHEMBL3522926 0.84 CNR1 (0.66) CNR1KCNH2CNR2
SCHEMBL3176598 0.79 CNR1 (0.83) CNR1KCNH2CNR2
SCHEMBL3169785 0.78 CNR1 (0.71) CNR1KCNH2CNR2
SCHEMBL3576430 0.77 CNR1 (0.70) CNR1KCNH2CNR2
SCHEMBL3570525 0.77 CNR1 (0.66) CNR1KCNH2CNR2
SCHEMBL3570283 0.77 CNR1 (0.82) CNR1KCNH2
SCHEMBL3186178 0.76 CNR1 (0.83) CNR1KCNH2CNR2
SCHEMBL3519924 0.76 CNR1 (0.74) CNR1KCNH2CNR2
SCHEMBL3184254 0.75 CNR1 (0.79) CNR1KCNH2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919471-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR MERCK SHARP & DOHME (NL) 2014-01-08 EP disclosed
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-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-20070082931-A1 Indole derivatives AKZO NOBLE N.V. (NL) 2007-04-12 US disclosed
US-20070082931-A1 Indole derivatives AKZO NOBLE N.V. (NL) 2007-04-12 US disclosed
WO-2007023143-A1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR N.V. ORGANON (NL) 2007-03-01 WO 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-20070082931-A1 Indole derivatives IDO1, TPH1, IDO2 CNR1 36/4885KCNH2 1569/4885CNR2 24/4885

“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.