SCHEMBL3568936

SCHEMBL3568936

CCc1cccc2c(-c3nc(CN(CCOC)C(C)C)cs3)cn(CC3CCCCC3)c12

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.64
KCNH2 Q12809 17/20 0.64
CYP1A1 P04798 1/20 0.59
CYP2C8 P10632 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL3575082 0.90 CNR1 (0.67) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3580007 0.90 CNR1 (0.65) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3572571 0.90 CNR1 (0.79) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3574680 0.79 CNR1 (0.80) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3569888 0.77 CNR1 (0.47) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3566537 0.74 CNR1 (1.00) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3568190 0.73 CNR1 (0.46) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3566442 0.73 CNR1 (1.00) CNR1KCNH2CYP1A1CYP2C8CYP2D6
SCHEMBL3573643 0.71 CNR1 (0.59) CNR1KCNH2
SCHEMBL13437716 0.69 CNR1 (0.46) CNR1KCNH2CYP1A1CYP2C8CYP2D6

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 1011/4885CYP1A1 394/4885

“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.