SCHEMBL3382124

SCHEMBL3382124

Nc1nc2c3c(ccc2s1)C(=C1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1O3

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 1/20 0.32
LTA4H P09960 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
OPRK1 P41145 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL3385537 0.81 LTA4H (0.37) KCNH2LTA4HCHRM2CHRM4CHRM5
SCHEMBL3380030 0.77 KCNH2 (0.40) KCNH2LTA4HCHRM2CHRM4CHRM5
SCHEMBL3382441 0.72 ROCK2 (0.35) KCNH2LTA4HCHRM2CHRM4CHRM5
SCHEMBL3381575 0.70 KCNH2 (0.40) KCNH2OPRK1OPRM1
SCHEMBL13005866 0.69 ALDH1A1 (0.38) DRD2DRD3
SCHEMBL3381244 0.67
SCHEMBL3380014 0.66 PARP2 (0.41) KCNH2OPRK1
SCHEMBL13617491 0.64 OPRM1 (0.41) KCNH2LTA4HOPRK1OPRM1OPRD1
SCHEMBL3382937 0.64 KCNH2 (0.47) KCNH2OPRK1OPRM1OPRD1
SCHEMBL3384979 0.64 PKM (0.41)

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
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-20090275610-A1 TRICYCLIC OPIOID MODULATORS DECORTE BART 2009-11-05 US 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
US-7582650-B2 Tricyclic opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-01 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 838/4885DRD2 371/4885DRD3 450/4885
US-20090275610-A1 TRICYCLIC OPIOID MODULATORS OPRD1, OPRM1, OPRK1 KCNH2 838/4885DRD2 371/4885DRD3 450/4885

“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.