SCHEMBL4510902

SCHEMBL4510902

CCN(CC)C(=O)c1ccc2c(c1)Oc1c(O)cccc1C2C1CC2CCC(C1)N2Cc1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.41
OPRM1 P35372 5/20 0.41
OPRK1 P41145 1/20 0.41
PARP1 P09874 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL4509747 0.91 OPRD1 (0.41) OPRD1OPRM1OPRK1PARP1
SCHEMBL5195434 0.89 ALDH1A1 (0.36) OPRD1OPRK1PARP1ALDH1A1
SCHEMBL4508448 0.82 OPRM1 (0.40) OPRD1OPRM1OPRK1
SCHEMBL5254908 0.79 HTR2B (0.36) OPRD1OPRM1OPRK1PARP1ALDH1A1
SCHEMBL4504326 0.79 PARP1 (0.33) PARP1ALDH1A1
SCHEMBL4519813 0.79 OPRD1 (0.45) OPRD1OPRM1
SCHEMBL5090930 0.78 OPRD1 (0.48) OPRD1OPRM1OPRK1PARP1ALDH1A1
SCHEMBL4519685 0.77 OPRM1 (0.43) OPRD1OPRM1OPRK1
SCHEMBL5094768 0.77 OPRD1 (0.44) OPRD1OPRM1OPRK1
SCHEMBL3173328 0.76 OPRD1 (0.40) OPRD1OPRM1OPRK1

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-7589104-B2 Tricyclic-bridged piperidinyline derivatives as §-opioid modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-15 US 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 4/4885OPRK1 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.