SCHEMBL4513844

SCHEMBL4513844

CCN(CC)C(=O)c1ccc2c(c1)Oc1c(Cl)cccc1C2=C1CC2CCC(C1)N2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.45
OPRM1 P35372 5/20 0.45
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
KCNH2 Q12809 7/20 0.36
CYP2D6 P10635 6/20 0.36
OPRK1 P41145 2/20 0.36
HPGD P15428 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDK2 Q15119 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL4509385 0.90 OPRD1 (0.48) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL490192 0.90 OPRD1 (0.46) OPRD1OPRM1HSP90AA1HSP90AB1KCNH2
SCHEMBL489974 0.89 OPRD1 (0.45) OPRD1OPRM1HSP90AA1HSP90AB1KCNH2
SCHEMBL490547 0.88 OPRD1 (0.49) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL490453 0.87 OPRD1 (0.44) OPRD1OPRM1HSP90AA1HSP90AB1KCNH2
SCHEMBL489982 0.86 OPRD1 (0.53) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL31270719 0.86 OPRD1 (0.53) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL29457700 0.86 OPRD1 (0.53) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL490168 0.86 OPRD1 (0.43) OPRD1OPRM1KCNH2CYP2D6OPRK1
SCHEMBL489975 0.85 OPRD1 (0.42) OPRD1OPRM1KCNH2CYP2D6OPRK1

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
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 OPRD1 1/4885OPRM1 4/4885HSP90AA1 2149/4885

“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.