SCHEMBL13617535

SCHEMBL13617535

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HSD11B1 P28845 1/20 0.36
GPR119 Q8TDV5 7/20 0.35
UCHL1 P09936 1/20 0.35
PREP P48147 1/20 0.34
KCNK3 O14649 2/20 0.33
KCNK9 Q9NPC2 2/20 0.33
HDAC1 Q13547 1/20 0.33
ABCB1 P08183 1/20 0.33
SETD7 Q8WTS6 1/20 0.32
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL3385083 1.00 CHRM2 (0.40) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3382661 0.87 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL13630712 0.87 CHRM2 (0.39) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL3381236 0.85 GPR119 (0.41) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL13617533 0.85 GPR119 (0.41) CHRM2CHRM1CHRM3HSD11B1GPR119
SCHEMBL13617537 0.85 SETD7 (0.32) SETD7
SCHEMBL3379108 0.85 SETD7 (0.32) SETD7
SCHEMBL3382099 0.79 CHRM1 (0.37) CHRM2CHRM1CHRM3
SCHEMBL3382566 0.73 TERT (0.34) HSD11B1SETD7
SCHEMBL3382744 0.72 SETD7 (0.32) SETD7

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 CHRM2 89/4885CHRM1 60/4885CHRM3 93/4885

“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.