SCHEMBL13617533

SCHEMBL13617533

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C/C(=C1/c3ccccc3Oc3c(C#N)cccc31)C2

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.41
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
RET P07949 2/20 0.35
HSD11B1 P28845 1/20 0.34
AR P10275 3/20 0.33
PREP P48147 1/20 0.33
SETD7 Q8WTS6 1/20 0.33

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
SCHEMBL3381236 1.00 GPR119 (0.41) GPR119CHRM2CHRM1CHRM3RET
SCHEMBL3385083 0.85 CHRM2 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL13617535 0.85 CHRM2 (0.40) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL3382026 0.85 TRPA1 (0.32) RETSETD7
SCHEMBL13630712 0.85 CHRM2 (0.39) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL3382661 0.85 CHRM2 (0.39) GPR119CHRM2CHRM1CHRM3HSD11B1
SCHEMBL3382099 0.77 CHRM1 (0.37) CHRM2CHRM1CHRM3
SCHEMBL3382566 0.71 TERT (0.34) HSD11B1ARSETD7
SCHEMBL20139227 0.71 GPR119 (0.53) GPR119CHRM2CHRM1CHRM3RET
SCHEMBL18043821 0.70 GPR119 (0.52) GPR119CHRM2CHRM1CHRM3HSD11B1

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-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 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-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 GPR119 660/4885CHRM2 89/4885CHRM1 60/4885

“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.