SCHEMBL4518555

SCHEMBL4518555

c1ccc(CN2C3CCC2CC(C2c4ccccc4Oc4cc(-c5ccncc5)ccc42)C3)nc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ LMNA P02545 1/20 0.33
▸ OPRD1 P41143 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ TRPV6 Q9H1D0 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ RET P07949 2/20 0.31
▸ RIPK3 Q9Y572 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL4514952 0.90 OPRM1 (0.38) OPRM1OPRK1KCNH2LMNAGRM5
SCHEMBL4502719 0.87 CHRNB2 (0.38) OPRM1OPRK1KCNH2OPRD1SIGMAR1
SCHEMBL4511833 0.85 OPRM1 (0.38) OPRM1OPRK1KCNH2LMNAOPRD1
SCHEMBL5097000 0.85 L3MBTL1 (0.41) SIGMAR1TRPV6PARP1MAPK1MAPT
SCHEMBL4517423 0.84 OPRM1 (0.37) OPRM1OPRK1KCNH2LMNATRPV6
SCHEMBL4519262 0.83 OPRK1 (0.33) OPRM1OPRK1KCNH2ROCK2ROCK1
SCHEMBL4514644 0.83 KCNH2 (0.38) OPRM1OPRK1KCNH2LMNAPARP1
SCHEMBL4504781 0.82 HRH3 (0.41) OPRM1OPRK1KCNH2OPRD1SIGMAR1
SCHEMBL4520693 0.81 OPRM1 (0.40) OPRM1OPRK1KCNH2OPRD1
SCHEMBL4517596 0.80 OPRM1 (0.37) OPRM1OPRK1KCNH2RET

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 8 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
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 OPRM1 4/4885OPRK1 2/4885KCNH2 618/4885

“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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