SCHEMBL4521267

SCHEMBL4521267

c1ccc(CN2C3CCC2CC(C2c4ccccc4Oc4cc(-c5nnn[nH]5)ccc42)C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.37
▸ ROCK1 Q13464 3/20 0.37
▸ ARHGDIA P52565 2/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA7 P36544 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ KCNH2 Q12809 7/20 0.34
▸ OPRK1 P41145 6/20 0.34
▸ OPRM1 P35372 5/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ OPRD1 P41143 3/20 0.33
▸ CHRM2 P08172 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ AURKA O14965 1/20 0.31
▸ CHUK O15111 1/20 0.31
▸ MAPK13 O15264 1/20 0.31
▸ DAPK3 O43293 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
SCHEMBL4516883 0.91 CHRNA7 (0.39) CHRNA7KCNH2OPRK1OPRM1OPRD1
SCHEMBL4504635 0.91 — —
SCHEMBL4517423 0.88 OPRM1 (0.37) KCNH2OPRK1OPRM1
SCHEMBL4511694 0.88 OPRM1 (0.35) KCNH2OPRK1OPRM1MEN1KMT2A
SCHEMBL4502719 0.82 CHRNB2 (0.38) ROCK2ROCK1ARHGDIACHRNB2CHRNA7
SCHEMBL4507773 0.81 PRCP (0.32) —
SCHEMBL4521626 0.81 SLC6A2 (0.30) KCNH2
SCHEMBL5090837 0.80 DRD2 (0.39) KCNH2DRD2DRD4SIGMAR1
SCHEMBL4508291 0.80 KCNH2 (0.37) ROCK2ROCK1ARHGDIACHRNB2CHRNA7
SCHEMBL5094787 0.78 NISCH (0.32) —

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 ROCK2 2549/4885ROCK1 2509/4885ARHGDIA 2009/4885

“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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