SCHEMBL4502719

SCHEMBL4502719

c1ccc(CN2C3CCC2CC(C2c4ccccc4Oc4cc(-c5ccncc5)ccc42)C3)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ KCNH2 Q12809 8/20 0.37
▸ OPRK1 P41145 7/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ OPRM1 P35372 4/20 0.37
▸ GRK2 P25098 1/20 0.36
▸ ROCK2 O75116 4/20 0.36
▸ ROCK1 Q13464 4/20 0.36
▸ OPRD1 P41143 2/20 0.36
▸ ARHGDIA P52565 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL4504781 0.90 HRH3 (0.41) CHRNA7KCNH2OPRK1OPRM1ROCK2
SCHEMBL4519262 0.90 OPRK1 (0.33) KCNH2OPRK1OPRM1ROCK2ROCK1
SCHEMBL4508291 0.89 KCNH2 (0.37) CHRNB2CHRNA7CHRNA4KCNH2OPRK1
SCHEMBL4518555 0.87 OPRM1 (0.40) KCNH2OPRK1OPRM1ROCK2ROCK1
SCHEMBL4511833 0.87 OPRM1 (0.38) KCNH2OPRK1OPRM1ROCK2ROCK1
SCHEMBL4521267 0.82 ROCK2 (0.37) CHRNB2CHRNA7CHRNA4KCNH2OPRK1
SCHEMBL4508407 0.80 HRH3 (0.39) CHRNA7KCNH2OPRK1OPRM1OPRD1
SCHEMBL4515040 0.80 CYP2D6 (0.34) KCNH2OPRK1OPRM1
SCHEMBL4508235 0.79 KCNH2 (0.36) KCNH2OPRK1OPRM1
SCHEMBL4518047 0.79 CLK4 (0.37) KCNH2OPRK1OPRM1

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 CHRNB2 116/4885CHRNA7 78/4885CHRNA4 34/4885

“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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