SCHEMBL4508407

SCHEMBL4508407

c1ccc(CCN2C3CCC2CC(C2c4ccccc4Oc4cc(-c5cccnc5)ccc42)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ DRD4 P21917 1/20 0.38
▸ CHRNA7 P36544 2/20 0.38
▸ GSK3B P49841 1/20 0.36
▸ CYP11B1 P15538 4/20 0.36
▸ CYP11B2 P19099 4/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ TNIK Q9UKE5 1/20 0.34

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
SCHEMBL4508291 0.91 KCNH2 (0.37) KCNH2CHRNA7CYP11B1CYP11B2OPRM1
SCHEMBL4519661 0.90 HRH3 (0.35) HRH3DRD2HTR2AKCNH2HTR2C
SCHEMBL4504781 0.90 HRH3 (0.41) HRH3DRD2HTR2AKCNH2HTR2C
SCHEMBL5091955 0.85 DRD2 (0.49) DRD2HTR2AHTR2CDRD4GSK3B
SCHEMBL4515040 0.83 CYP2D6 (0.34) KCNH2CYP11B1CYP11B2OPRM1OPRK1
SCHEMBL4514952 0.83 OPRM1 (0.38) KCNH2CYP11B1CYP11B2OPRM1OPRK1
SCHEMBL4518047 0.82 CLK4 (0.37) KCNH2CYP11B1CYP11B2OPRM1OPRK1
SCHEMBL4508235 0.81 KCNH2 (0.36) KCNH2GSK3BOPRM1OPRK1GRIN2B
SCHEMBL4508609 0.81 ADRA2A (0.35) CYP11B1CYP11B2TNIK
SCHEMBL13394898 0.81 CYP11B1 (0.40) HRH3DRD2HTR2AKCNH2HTR2C

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 736/4885DRD2 205/4885HTR2A 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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