SCHEMBL4515301

SCHEMBL4515301

CC(C)(C)OC(=O)N1C2CCC1CC(C1c3ccccc3Oc3cc(C(=O)N4CCC(O)C4)ccc31)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ PREP P48147 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ LOX P28300 2/20 0.34
▸ LOXL2 Q9Y4K0 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL4513701 0.85 CHRM1 (0.41) CHRM2CHRM1CHRM3PREPHDAC1
SCHEMBL13711484 0.81 CHRM2 (0.38) CHRM2CHRM1CHRM3PREPHDAC1
SCHEMBL4521161 0.81 CHRM2 (0.38) CHRM2CHRM1CHRM3HDAC4PREP
SCHEMBL4519364 0.81 RAB9A (0.46) PDK2RAB9ANPC1LOXL2HPGD
SCHEMBL4513186 0.80 MEN1 (0.38) CHRM2CHRM1CHRM3PREPHDAC1
SCHEMBL4504977 0.80 PDK2 (0.43) PDK2RAB9ANPC1HDAC4LOX
SCHEMBL4527906 0.79 RAB9A (0.49) PDK2RAB9ANPC1
SCHEMBL5091015 0.79 PDK2 (0.45) PDK2RAB9ANPC1HDAC4LOX
SCHEMBL5091014 0.79 PDK2 (0.45) PDK2RAB9ANPC1HDAC4LOX
SCHEMBL4519627 0.78 GPR119 (0.47) CHRM2CHRM1CHRM3PREPGPR119

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 PDK2 4153/4885CHRM2 125/4885CHRM1 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.

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