SCHEMBL4517006

SCHEMBL4517006

CCN(CC)C(=O)c1ccc2c(c1)Oc1c(C)cccc1C2C1CC2CCC(C1)N2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.45
OPRM1 P35372 8/20 0.45
HPGD P15428 4/20 0.39
OPRK1 P41145 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 4/20 0.35
KCNH2 Q12809 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 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
SCHEMBL4519813 0.91 OPRD1 (0.45) OPRD1OPRM1HPGDTDP1CYP2D6
SCHEMBL4518730 0.90 OPRD1 (0.44) OPRD1OPRM1HPGDOPRK1TDP1
SCHEMBL4507748 0.88 OPRD1 (0.50) OPRD1OPRM1HPGDOPRK1TDP1
SCHEMBL4511427 0.88 OPRM1 (0.43) OPRD1OPRM1HPGDTDP1MEN1
SCHEMBL4520222 0.87 OPRD1 (0.46) OPRD1OPRM1HPGDOPRK1CYP2D6
SCHEMBL4514324 0.81 OPRD1 (0.42) OPRD1OPRM1HPGDKCNH2MEN1
SCHEMBL4513007 0.81 OPRM1 (0.42) OPRD1OPRM1HPGDTDP1MEN1
SCHEMBL5196626 0.79 OPRD1 (0.43) OPRD1OPRM1HPGDCYP2D6KCNH2
SCHEMBL4511678 0.77 MEN1 (0.40) OPRD1OPRM1CYP2D6KCNH2MEN1
SCHEMBL5094768 0.77 OPRD1 (0.44) OPRD1OPRM1OPRK1CYP2D6KCNH2

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
US-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US claimed
EP-1833825-A1 TRICYCLIC DELTA-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-19 EP claimed
WO-2006069277-A1 TRICYCLIC δ-OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-29 WO claimed
US-20060135524-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-22 US claimed
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 4/4885HPGD 860/4885

“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.