SCHEMBL3380030

SCHEMBL3380030

Oc1cccc2c1Oc1ccccc1C2=C1CC2CCC(C1)N2Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.40
OPRK1 P41145 7/20 0.40
OPRM1 P35372 6/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
LTA4H P09960 1/20 0.37
OPRD1 P41143 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL3381575 0.89 KCNH2 (0.40) KCNH2OPRK1OPRM1
SCHEMBL3381244 0.89
SCHEMBL3385537 0.87 LTA4H (0.37) KCNH2OPRK1OPRM1CHRM2CHRM4
SCHEMBL3379231 0.84 OPRM1 (0.39) KCNH2OPRK1OPRM1LTA4HOPRD1
SCHEMBL3379158 0.82 SETD7 (0.42) OPRK1OPRM1OPRD1
SCHEMBL3382441 0.81 ROCK2 (0.35) KCNH2OPRK1OPRM1CHRM2CHRM4
SCHEMBL3383406 0.78 SETD7 (0.40) KCNH2OPRK1OPRM1CHRM2CHRM4
SCHEMBL3382124 0.77 KCNH2 (0.35) KCNH2OPRK1OPRM1CHRM2CHRM4
SCHEMBL3382566 0.77 TERT (0.34)
SCHEMBL3383083 0.75 SETD7 (0.35)

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 7 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 claimed
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 KCNH2 838/4885OPRK1 3/4885OPRM1 2/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 KCNH2 838/4885OPRK1 3/4885OPRM1 2/4885

“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.