SCHEMBL3581338

SCHEMBL3581338

COc1cccc2c(-c3nc(CN4CCSCC4)cs3)cn(CC3CCCCC3)c12

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.57
KCNH2 Q12809 11/20 0.57
CNR2 P34972 2/20 0.46

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
SCHEMBL3563746 0.90 CNR1 (0.68) CNR1KCNH2CNR2
SCHEMBL3568626 0.90 CNR1 (0.64) CNR1KCNH2CNR2
SCHEMBL3573643 0.85 CNR1 (0.59) CNR1KCNH2CNR2
SCHEMBL3628176 0.83 CNR1 (0.49) CNR1KCNH2CNR2
SCHEMBL3571231 0.80 CNR1 (0.56) CNR1KCNH2CNR2
SCHEMBL3574680 0.79 CNR1 (0.80) CNR1KCNH2
SCHEMBL3568964 0.79 CNR1 (0.51) CNR1KCNH2CNR2
SCHEMBL3581024 0.79 CNR1 (0.48) CNR1KCNH2CNR2
SCHEMBL3577789 0.79 CNR1 (0.54) CNR1KCNH2CNR2
SCHEMBL3580007 0.77 CNR1 (0.65) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700634-B2 (Indol-3-yl) heterocycle derivatives as agonists of the cannabinoid CB1 receptor N.V. ORGANON (NL) 2010-04-20 US disclosed
EP-1725232-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR ORGANON NV (NL) 2008-01-23 EP disclosed
US-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor MERCK SHARP & DOHME B.V. (NL) 2007-06-21 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-20070142446-A1 (Indol-3-yl) heterocycle derivatives as a agonists of the cannabinoid cb1 receptor CNR1, CNR2, OPRL1 CNR1 1/4885KCNH2 1011/4885CNR2 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.