SCHEMBL3477593

SCHEMBL3477593

C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc1ccc(O)cc1)c1cccc(C#N)c1

nearest known ligand 0.87

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.87
CNR2 P34972 7/20 0.87
CYP2D6 P10635 1/20 0.87
CYP2C9 P11712 1/20 0.87
KCNH2 Q12809 1/20 0.87
CYP3A4 P08684 1/20 0.65

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
SCHEMBL3475455 1.00 CNR1 (0.87) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL16357820 0.94 CNR1 (0.87) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL16359327 0.94 CNR1 (0.87) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL1896441 0.94 CNR1 (0.87) CNR1CNR2CYP2D6CYP2C9KCNH2
Taranabant SCHEMBL13253294 0.93 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
Taranabant SCHEMBL304925 0.93 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
Taranabant SCHEMBL4024243 0.93 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
Taranabant SCHEMBL17565778 0.93 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
Taranabant SCHEMBL501972 0.93 CNR1 (1.00) CNR1CNR2CYP2D6CYP2C9KCNH2
SCHEMBL13237168 0.93 CNR1 (0.86) 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-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
US-20060115425-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-06-01 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-20060115425-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CYP2D6 1549/4885

“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.