SCHEMBL3383406

SCHEMBL3383406

CN1C2CCCC1CC(=C1c3ccccc3Oc3c(O)cccc31)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.40
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
HTR3A P46098 5/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
CHRM4 P08173 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPK1 P28482 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRNB2 P17787 1/20 0.32
HRH1 P35367 1/20 0.32
CHRNA7 P36544 1/20 0.32

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
SCHEMBL3379158 0.95 SETD7 (0.42) SETD7CHRNB4CHRNA3HTR3AOPRM1
SCHEMBL3384754 0.81 SETD7 (0.33) SETD7CHRNB4CHRNA3
SCHEMBL2628170 0.80 SETD7 (0.55) SETD7HTR3AOPRM1OPRD1OPRK1
SCHEMBL3380030 0.78 KCNH2 (0.40) OPRM1OPRD1OPRK1CHRM4CHRM2
SCHEMBL3383083 0.78 SETD7 (0.35) SETD7CHRNB4CHRNA3CHRNA7
SCHEMBL3382566 0.77 TERT (0.34) SETD7
SCHEMBL4781352 0.77 TERT (0.33) SETD7
SCHEMBL3384621 0.76 SETD7 (0.71) SETD7HTR3AOPRM1OPRK1CHRM4
SCHEMBL3381244 0.74
SCHEMBL3379231 0.74 OPRM1 (0.39) OPRM1OPRD1OPRK1CHRM1KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896467-B1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-01 EP disclosed
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US disclosed
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 US disclosed
EP-1896467-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-12 EP disclosed
WO-2006138528-A2 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V (BE) 2006-12-28 WO disclosed
US-20060287297-A1 TRICYCLIC OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 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 (2 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-20060287297-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 SETD7 4281/4885CHRNB4 190/4885CHRNA3 86/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 SETD7 4281/4885CHRNB4 190/4885CHRNA3 86/4885

“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.