SCHEMBL4516883

SCHEMBL4516883

c1ccc(CCN2C3CCC2CC(C2c4ccccc4Oc4cc(-c5nnn[nH]5)ccc42)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ OPRM1 P35372 4/20 0.34
▸ OPRD1 P41143 4/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ SIGMAR1 Q99720 2/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.30

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
SCHEMBL4521267 0.91 ROCK2 (0.37) CHRNA7KCNH2DRD2OPRM1OPRD1
SCHEMBL5090837 0.86 DRD2 (0.39) HTR2AKCNH2DRD2HTR2CSIGMAR1
SCHEMBL4504635 0.84 — —
SCHEMBL4517423 0.83 OPRM1 (0.37) KCNH2OPRM1OPRK1
SCHEMBL4511694 0.83 OPRM1 (0.35) KCNH2OPRM1OPRK1
SCHEMBL4504781 0.83 HRH3 (0.41) CHRNA7HRH3HTR2AKCNH2DRD2
SCHEMBL3181359 0.81 HRH3 (0.39) CHRNA7HRH3HTR2AKCNH2DRD2
SCHEMBL13394757 0.81 HRH3 (0.39) CHRNA7HRH3HTR2AKCNH2DRD2
SCHEMBL4508407 0.80 HRH3 (0.39) CHRNA7HRH3HTR2AKCNH2DRD2
SCHEMBL4507773 0.80 PRCP (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 9 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
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 CHRNA7 78/4885HRH3 736/4885HTR2A 300/4885

“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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