SCHEMBL8512217

SCHEMBL8512217

CC(C)C(=O)OC(C)(C)C(=O)NC(C)C(Cc1ccc(Cl)cc1)c1cccc(C#N)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.66
CNR2 P34972 17/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
KCNH2 Q12809 1/20 0.66

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
SCHEMBL8512219 1.00 CNR1 (0.66) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL8509801 0.92 CNR1 (0.67) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL8509797 0.92 CNR1 (0.67) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL8509729 0.91 CNR1 (0.66) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL8509727 0.91 CNR1 (0.66) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL8512500 0.91 CNR1 (0.66) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL8512503 0.91 CNR1 (0.66) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL8514382 0.91 CNR1 (0.66) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL8514386 0.91 CNR1 (0.66) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL8510495 0.90 CNR1 (0.67) CNR1CNR2CYP2D6CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US claimed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 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-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CYP2D6 1463/4885

“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.