SCHEMBL4504781

SCHEMBL4504781

c1ccc(CCN2C3CCC2CC(C2c4ccccc4Oc4cc(-c5ccncc5)ccc42)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CHRNA7 P36544 3/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ HTR2B P41595 1/20 0.36
▸ OPRM1 P35372 4/20 0.36
▸ OPRD1 P41143 4/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL4502719 0.90 CHRNB2 (0.38) CHRNA7KCNH2SIGMAR1OPRM1OPRD1
SCHEMBL4508407 0.90 HRH3 (0.39) HRH3CHRNA7KCNH2DRD2HTR2A
SCHEMBL4516883 0.83 CHRNA7 (0.39) HRH3CHRNA7KCNH2DRD2HTR2A
SCHEMBL4519262 0.82 OPRK1 (0.33) KCNH2OPRM1OPRK1ROCK2ROCK1
SCHEMBL4518555 0.82 OPRM1 (0.40) KCNH2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL4511833 0.82 OPRM1 (0.38) KCNH2SIGMAR1OPRM1OPRD1OPRK1
SCHEMBL4508291 0.80 KCNH2 (0.37) CHRNA7KCNH2OPRM1OPRK1ROCK2
SCHEMBL4519661 0.80 HRH3 (0.35) HRH3CHRNA7KCNH2DRD2HTR2A
SCHEMBL3173390 0.80 HRH3 (0.42) HRH3CHRNA7KCNH2DRD2HTR2A
SCHEMBL13394887 0.80 HRH3 (0.42) HRH3CHRNA7KCNH2DRD2HTR2A

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 HRH3 736/4885CHRNA7 78/4885KCNH2 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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