SCHEMBL4527906

SCHEMBL4527906

O=C(c1ccc2c(c1)Oc1ccccc1C2C1CC2CCC(C1)N2CCc1ccccc1)N1CCC(O)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ OPRM1 P35372 5/20 0.42
▸ OPRD1 P41143 5/20 0.42
▸ CHRNA7 P36544 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ KMT2A Q03164 1/20 0.37
▸ HRH3 Q9Y5N1 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
SCHEMBL4519364 0.92 RAB9A (0.46) RAB9ANPC1OPRM1OPRD1OPRK1
SCHEMBL5097179 0.87 NPC1 (0.51) RAB9ANPC1OPRM1OPRD1OPRK1
SCHEMBL5097505 0.87 NPC1 (0.51) RAB9ANPC1OPRM1OPRD1OPRK1
SCHEMBL4509023 0.85 RAB9A (0.40) RAB9ANPC1PDK2ROCK2KMT2A
SCHEMBL5195742 0.84 NPC1 (0.42) RAB9ANPC1OPRM1OPRD1OPRK1
SCHEMBL4503442 0.84 OPRM1 (0.41) RAB9ANPC1OPRM1OPRD1OPRK1
SCHEMBL4526090 0.83 OPRM1 (0.42) RAB9ANPC1OPRM1OPRD1OPRK1
SCHEMBL4504977 0.81 PDK2 (0.43) RAB9ANPC1PDK2ROCK2KMT2A
SCHEMBL4508136 0.80 OPRM1 (0.54) OPRM1OPRD1
SCHEMBL4515301 0.79 PDK2 (0.40) RAB9ANPC1PDK2

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 10 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 claimed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 — — EP claimed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 — — WO claimed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 — — US claimed
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 RAB9A 2741/4885NPC1 1561/4885OPRM1 4/4885

“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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