SCHEMBL3384754

SCHEMBL3384754

Oc1cccc2c1Oc1ccccc1C2=C1CC2CCCC(C1)N2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 1/20 0.31
HSD11B1 P28845 1/20 0.31
AKR1C3 P42330 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
SCHEMBL3383083 0.95 SETD7 (0.35) SETD7CHRNB4CHRNA3ADORA3AR
Trifluoroacetic Acid SCHEMBL3382424 0.85 KDM1A (0.36)
SCHEMBL3383406 0.81 SETD7 (0.40) SETD7CHRNB4CHRNA3
SCHEMBL3380020 0.80 SETD7 (0.35) SETD7
SCHEMBL13617538 0.80 SETD7 (0.35) SETD7
SCHEMBL3381668 0.80 SETD7 (0.35) SETD7CHRNB4CHRNA3
SCHEMBL4669628 0.79 SETD7 (0.46) SETD7
SCHEMBL3384341 0.78 CHRNA7 (0.36) SETD7
SCHEMBL3379158 0.78 SETD7 (0.42) SETD7CHRNB4CHRNA3
SCHEMBL3382259 0.77 TRPA1 (0.40)

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.