SCHEMBL3963979

SCHEMBL3963979

CCOC(=O)N1C2CCC1CC(=C1c3ccccc3Oc3cc(C(=O)N(C)CCO)ccc31)C2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.38
CHRM1 P11229 11/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
RAB9A P51151 1/20 0.35
ROCK2 O75116 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL490182 0.89 OPRD1 (0.40) CHRM1CHRM4CHRM5OPRM1OPRD1
SCHEMBL13627440 0.81 PDK2 (0.42) PDK2RAB9AROCK2OPRM1OPRD1
SCHEMBL490111 0.76 OPRD1 (0.53) OPRM1OPRD1
SCHEMBL489911 0.73 OPRM1 (0.48) OPRM1OPRD1
SCHEMBL490076 0.73 OPRM1 (0.57) OPRM1OPRD1
SCHEMBL490087 0.73 OPRM1 (0.40) PDK2OPRM1OPRD1
SCHEMBL490140 0.71 OPRD1 (0.41) OPRM1OPRD1
SCHEMBL490141 0.71 OPRM1 (0.46) OPRM1OPRD1
SCHEMBL10235427 0.71 SETD7 (0.41) OPRM1OPRD1
SCHEMBL2633229 0.70 SLC6A4 (0.42)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS DAX SCOTT 2009-11-26 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
US-7553850-B2 Tricyclic-bridged piperidinylidene derivatives as δ-opioid modulators JANSSEN PHARMACEUTICA NV (BG) 2009-06-30 US disclosed
EP-1910353-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-16 EP disclosed
WO-2007030089-A1 TRICYCLIC DELTA- OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-15 WO disclosed
US-20060030585-A1 Tricyclic delta-opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-09 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-20090291979-A1 TRICYCLIC-BRIDGED PIPERIDINYLIDENE DERIVATIVES AS DELTA OPIOID MODULATORS OPRD1, OPRK1, OPRM1 PDK2 2376/4885CHRM1 103/4885CHRM4 331/4885
US-20060030585-A1 Tricyclic delta-opioid modulators OPRD1, OPRK1, OPRL1 PDK2 4153/4885CHRM1 93/4885CHRM4 163/4885

“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.