SCHEMBL4519627

SCHEMBL4519627

CC(C)(C)OC(=O)N1C2CCC1CC(C1c3ccccc3Oc3cc(C#N)ccc31)C2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 11/20 0.47
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ AR P10275 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ PREP P48147 1/20 0.36
▸ HSD11B1 P28845 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
SCHEMBL4514314 0.85 HSD17B1 (0.47) GPR119HSD17B1HSD17B2
SCHEMBL4513701 0.85 CHRM1 (0.41) GPR119CHRM2CHRM1CHRM3PREP
SCHEMBL13711484 0.81 CHRM2 (0.38) GPR119CHRM2CHRM1CHRM3PREP
SCHEMBL4521161 0.81 CHRM2 (0.38) GPR119CHRM2CHRM1CHRM3PREP
SCHEMBL3167400 0.80 GPR119 (0.49) GPR119CHRM2CHRM1CHRM3IRAK4
SCHEMBL3167407 0.80 GPR119 (0.49) GPR119CHRM2CHRM1CHRM3IRAK4
SCHEMBL3184310 0.80 GPR119 (0.49) GPR119CHRM2CHRM1CHRM3IRAK4
SCHEMBL4513186 0.80 MEN1 (0.38) GPR119CHRM2CHRM1CHRM3PREP
SCHEMBL4515301 0.78 PDK2 (0.40) GPR119CHRM2CHRM1CHRM3PREP
SCHEMBL1424660 0.74 CHRM2 (0.48) GPR119CHRM2CHRM1CHRM3AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 — — US disclosed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 — — EP disclosed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO disclosed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 — — 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-20060135524-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 GPR119 540/4885HSD17B1 769/4885HSD17B2 920/4885

“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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