SCHEMBL17694501

SCHEMBL17694501

CCOC(=O)C(C)(C)c1cc(C)c(-c2cccc(C#N)c2)c(OC)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.73
▸ FNTA P49354 2/20 0.43
▸ FNTB P49356 2/20 0.43
▸ PDCD1 Q15116 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CTSA P10619 2/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TLR7 Q9NYK1 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ RIPK2 O43353 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL15515039 0.96 CNR2 (0.76) CNR2FNTAFNTBPDCD1CD274
SCHEMBL15517365 0.84 CNR2 (1.00) CNR2FNTAFNTBPDCD1CD274
SCHEMBL5783107 0.79 CNR2 (0.70) CNR2FNTAFNTBPDCD1CD274
SCHEMBL17694503 0.78 CNR2 (0.90) CNR2CNR1
SCHEMBL17694504 0.77 CNR2 (0.90) CNR2CNR1CYP1A2
SCHEMBL23198621 0.77 CNR2 (0.71) CNR2FNTAFNTBCNR1
SCHEMBL286592 0.73 CNR2 (0.54) CNR2
SCHEMBL15506433 0.73 CNR2 (1.00) CNR2CNR1
SCHEMBL15515442 0.72 CNR2 (1.00) CNR2CNR1CTSACYP1A2
SCHEMBL15609391 0.71 CNR2 (0.57) CNR2HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 — — 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-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof CNR2, CNR1, GPR18 CNR2 1/4885FNTA 1937/4885FNTB 3694/4885

“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.

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